71301417 -OEChem-04192418202D 118120 0 0 0 0 0 0 0999 V2000 11.0263 8.5795 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.7135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 10.3116 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 8.2135 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7865 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 13.3353 -10.3116 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 23.7108 4.6593 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.3923 5.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5263 9.4455 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.8923 9.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 8.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2865 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 -1.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.2135 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8301 7.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 5.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8467 5.1626 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.9749 3.6660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4674 -9.8149 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.3276 -8.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.7135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 6.1893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -4.3316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 6.6860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 -5.3316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2467 4.6726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 -7.3182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5263 7.6793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1277 -7.3316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 6.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1523 6.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1523 8.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2401 -2.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4480 -3.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 6.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 7.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -3.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3461 -4.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 6.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9879 -5.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5224 6.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -6.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3827 5.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6506 5.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7238 -6.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8520 -5.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3865 6.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8597 -7.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5147 4.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7199 -5.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1147 5.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5956 -8.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9788 4.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4635 -8.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1451 5.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1451 8.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 -2.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -4.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5941 8.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 -4.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 7.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1125 4.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8496 -4.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9246 6.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8621 -7.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5123 4.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2557 -5.5095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2444 4.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1275 -7.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0644 7.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9905 7.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -7.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5895 -7.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5150 5.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7180 5.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9846 -8.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3858 -8.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 1 13 2 0 0 0 0 1 41 1 0 0 0 0 2 14 1 0 0 0 0 2 15 2 0 0 0 0 2 16 2 0 0 0 0 2 45 1 0 0 0 0 3 17 1 0 0 0 0 3 18 2 0 0 0 0 3 19 2 0 0 0 0 3 52 1 0 0 0 0 9 44 2 0 0 0 0 10 48 2 0 0 0 0 20 83 1 0 0 0 0 21 83 2 0 0 0 0 22 84 1 0 0 0 0 23 84 2 0 0 0 0 24 51 1 0 0 0 0 24 60 1 0 0 0 0 24 93 1 0 0 0 0 25 26 1 0 0 0 0 25 42 2 0 0 0 0 26 55 1 0 0 0 0 26 97 1 0 0 0 0 27 28 1 0 0 0 0 27 46 2 0 0 0 0 28 64 1 0 0 0 0 28100 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 33 73 1 0 0 0 0 33 81 1 0 0 0 0 33109 1 0 0 0 0 34 75 1 0 0 0 0 34 82 1 0 0 0 0 34110 1 0 0 0 0 35 71 1 0 0 0 0 35111 1 0 0 0 0 35112 1 0 0 0 0 36 72 1 0 0 0 0 36113 1 0 0 0 0 36114 1 0 0 0 0 37 38 2 0 0 0 0 37 44 1 0 0 0 0 37 49 1 0 0 0 0 38 43 1 0 0 0 0 38 50 1 0 0 0 0 39 40 2 0 0 0 0 39 47 1 0 0 0 0 39 54 1 0 0 0 0 40 48 1 0 0 0 0 40 53 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 42 44 1 0 0 0 0 43 85 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 46 48 1 0 0 0 0 47 86 1 0 0 0 0 49 56 2 0 0 0 0 49 87 1 0 0 0 0 50 57 2 0 0 0 0 50 88 1 0 0 0 0 51 52 2 0 0 0 0 51 61 1 0 0 0 0 52 58 1 0 0 0 0 53 59 2 0 0 0 0 53 89 1 0 0 0 0 54 62 2 0 0 0 0 54 90 1 0 0 0 0 55 58 2 0 0 0 0 55 63 1 0 0 0 0 56 57 1 0 0 0 0 57 91 1 0 0 0 0 58 92 1 0 0 0 0 59 62 1 0 0 0 0 60 65 2 0 0 0 0 60 66 1 0 0 0 0 61 63 2 0 0 0 0 61 94 1 0 0 0 0 62 95 1 0 0 0 0 63 96 1 0 0 0 0 64 67 2 0 0 0 0 64 68 1 0 0 0 0 65 67 1 0 0 0 0 65 98 1 0 0 0 0 66 68 2 0 0 0 0 66 99 1 0 0 0 0 67101 1 0 0 0 0 68102 1 0 0 0 0 69 71 2 0 0 0 0 69 74 1 0 0 0 0 70 72 2 0 0 0 0 70 76 1 0 0 0 0 71 77 1 0 0 0 0 72 78 1 0 0 0 0 73 77 2 0 0 0 0 73 79 1 0 0 0 0 74 79 2 0 0 0 0 74103 1 0 0 0 0 75 78 2 0 0 0 0 75 80 1 0 0 0 0 76 80 2 0 0 0 0 76104 1 0 0 0 0 77105 1 0 0 0 0 78106 1 0 0 0 0 79107 1 0 0 0 0 80108 1 0 0 0 0 81 83 1 0 0 0 0 81115 1 0 0 0 0 81116 1 0 0 0 0 82 84 1 0 0 0 0 82117 1 0 0 0 0 82118 1 0 0 0 0 M CHG 8 4 1 5 1 6 1 7 1 8 1 11 -1 14 -1 17 -1 M CHG 2 20 -1 22 -1 M END > 71301417 > 1 > 2760 > 28 > 7 > 14 > AAADcfB//DBgAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAACBVAAAHgQYAAAADAzB2AQwyYLiAAKqA6TySHDSBEAlAgAYiJ2odNgKYHLA1fGEIQxgmADYyYcciICOiACAQCQQASAQAQCASCACQAAAAAAAAA== > pentasodium;2-[3-amino-4-[[(7E)-7-[[4-[4-[(2Z)-2-[7-[2-amino-4-(carboxylatomethylamino)phenyl]azo-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]-2-sulfonato-anilino]phenyl]hydrazono]-8-oxo-6-sulfonato-2-naphthyl]azo]anilino]acetate > pentasodium;2-[3-amino-4-[[(7E)-7-[[4-[4-[(2Z)-2-[7-[2-amino-4-(carboxylatomethylamino)phenyl]azo-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]-2-sulfonatoanilino]phenyl]hydrazinylidene]-8-oxo-6-sulfonato-2-naphthalenyl]azo]anilino]acetate > pentasodium;2-[3-amino-4-[[(7E)-7-[[4-[4-[(2Z)-2-[7-[[2-amino-4-(carboxylatomethylamino)phenyl]diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-2-sulfonatoanilino]phenyl]hydrazinylidene]-8-oxo-6-sulfonatonaphthalen-2-yl]diazenyl]anilino]acetate > pentasodium;2-[3-amino-4-[[(7E)-7-[[4-[4-[(2Z)-2-[7-[[2-amino-4-(carboxylatomethylamino)phenyl]diazenyl]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-2-sulfonatoanilino]phenyl]hydrazinylidene]-8-oxo-6-sulfonatonaphthalen-2-yl]diazenyl]anilino]acetate > pentasodium;2-[[3-azanyl-4-[[(7E)-7-[[4-[[4-[(2Z)-2-[7-[[2-azanyl-4-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]phenyl]diazenyl]-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]-2-sulfonato-phenyl]amino]phenyl]hydrazinylidene]-8-oxidanylidene-6-sulfonato-naphthalen-2-yl]diazenyl]phenyl]amino]ethanoate > pentasodium;2-[3-amino-4-[[(7E)-7-[[4-[4-[(N'Z)-N'-[7-[2-amino-4-(carboxylatomethylamino)phenyl]azo-1-keto-3-sulfonato-2-naphthylidene]hydrazino]-2-sulfonato-anilino]phenyl]hydrazono]-8-keto-6-sulfonato-2-naphthyl]azo]anilino]acetate > InChI=1S/C48H39N13O15S3.5Na/c49-35-19-28(51-22-43(62)63)9-12-37(35)58-55-30-3-1-24-15-41(78(71,72)73)45(47(66)33(24)17-30)60-54-27-7-5-26(6-8-27)53-39-14-11-32(21-40(39)77(68,69)70)57-61-46-42(79(74,75)76)16-25-2-4-31(18-34(25)48(46)67)56-59-38-13-10-29(20-36(38)50)52-23-44(64)65;;;;;/h1-21,51-54,57H,22-23,49-50H2,(H,62,63)(H,64,65)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;/q;5*+1/p-5/b58-55?,59-56?,60-45-,61-46+;;;;; > QKFNIEXDDYRRLM-JHVSZZQGSA-I > 1243.0947924 > C48H34N13Na5O15S3 > 1244.0 > C1=CC(=CC=C1NC2=C(C=C(C=C2)NN=C3C(=CC4=C(C3=O)C=C(C=C4)N=NC5=C(C=C(C=C5)NCC(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C6C(=CC7=C(C6=O)C=C(C=C7)N=NC8=C(C=C(C=C8)NCC(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] > C1=CC(=CC=C1NC2=C(C=C(C=C2)N/N=C/3\C(=CC4=C(C3=O)C=C(C=C4)N=NC5=C(C=C(C=C5)NCC(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-])N/N=C\6/C(=CC7=C(C6=O)C=C(C=C7)N=NC8=C(C=C(C=C8)NCC(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] > 498 > 1243.0947924 > 0 > 84 > 0 > 0 > 2 > 0 > 0 > 6 > 970 > 1 5 255 > 37 38 8 37 49 8 38 50 8 39 40 8 39 54 8 40 53 8 49 56 8 50 57 8 51 52 8 51 61 8 52 58 8 53 59 8 54 62 8 55 58 8 55 63 8 56 57 8 59 62 8 60 65 8 60 66 8 61 63 8 64 67 8 64 68 8 65 67 8 66 68 8 69 71 8 69 74 8 70 72 8 70 76 8 71 77 8 72 78 8 73 77 8 73 79 8 74 79 8 75 78 8 75 80 8 76 80 8 $$$$