6913958 -OEChem-05072422552D 86 91 0 0 0 0 0 0 0999 V2000 19.0781 -3.5678 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.5585 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.3230 -6.5544 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5585 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.9479 -3.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 7.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7061 -4.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8834 2.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3152 -7.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5714 -4.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5848 -2.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 6.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 6.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3229 -6.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3230 -6.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 4.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5987 -5.5411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7061 -1.9890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 3.5343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7099 -0.9890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 2.5344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3461 -3.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4762 -4.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2082 -4.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4685 -5.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3307 -5.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2005 -5.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5702 -3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 3.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3702 -2.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 5.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5702 -2.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 4.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4762 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1177 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2536 1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8458 -0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5254 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8497 0.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5215 1.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 1.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3856 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1138 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9779 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 2.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7176 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6536 0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7351 -5.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9130 -2.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4834 -1.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 5.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0641 -5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5939 -6.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9880 1.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3832 -0.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7955 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9755 -1.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3957 3.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2481 -0.6811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 2.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0256 0.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2558 1.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4097 1.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3456 1.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1154 0.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9615 -0.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4825 -3.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8498 -7.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 29 1 0 0 0 0 2 6 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 30 1 0 0 0 0 3 9 1 0 0 0 0 3 15 2 0 0 0 0 3 16 2 0 0 0 0 3 33 1 0 0 0 0 4 10 1 0 0 0 0 4 17 2 0 0 0 0 4 18 2 0 0 0 0 4 34 1 0 0 0 0 5 83 1 0 0 0 0 6 84 1 0 0 0 0 7 37 2 0 0 0 0 8 38 2 0 0 0 0 9 85 1 0 0 0 0 10 86 1 0 0 0 0 19 31 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 32 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 21 23 1 0 0 0 0 21 41 2 0 0 0 0 22 24 1 0 0 0 0 22 42 2 0 0 0 0 23 47 1 0 0 0 0 23 75 1 0 0 0 0 24 48 1 0 0 0 0 24 76 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 26 40 1 0 0 0 0 27 31 1 0 0 0 0 27 37 1 0 0 0 0 28 32 1 0 0 0 0 28 38 1 0 0 0 0 29 35 2 0 0 0 0 30 36 2 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 2 0 0 0 0 39 61 1 0 0 0 0 40 44 2 0 0 0 0 40 62 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 63 1 0 0 0 0 44 64 1 0 0 0 0 45 46 1 0 0 0 0 45 51 2 0 0 0 0 45 53 1 0 0 0 0 46 52 2 0 0 0 0 46 54 1 0 0 0 0 47 49 2 0 0 0 0 47 55 1 0 0 0 0 48 50 2 0 0 0 0 48 56 1 0 0 0 0 49 51 1 0 0 0 0 49 57 1 0 0 0 0 50 52 1 0 0 0 0 50 58 1 0 0 0 0 51 69 1 0 0 0 0 52 70 1 0 0 0 0 53 55 2 0 0 0 0 53 71 1 0 0 0 0 54 56 2 0 0 0 0 54 72 1 0 0 0 0 55 73 1 0 0 0 0 56 74 1 0 0 0 0 57 77 1 0 0 0 0 57 78 1 0 0 0 0 57 79 1 0 0 0 0 58 80 1 0 0 0 0 58 81 1 0 0 0 0 58 82 1 0 0 0 0 M END > 6913958 > 1 > 2050 > 20 > 8 > 9 > AAADceB/vABwAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAHgQYCAAADAyB2AAywYBiAIKoA6RyQHDSBEAkAgAYiB0wZNgIIDqAlZGAIYBgmAAIyUcYiMCOmAQCwEAWAQAwCAWAgCwCAAAAAAAAAA== > (6E)-4-amino-6-[[4-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfo-2-naphthylidene)hydrazino]-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-5-oxo-naphthalene-1,3-disulfonic acid > (6E)-4-amino-6-[[4-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfo-2-naphthalenylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonic acid > (6E)-4-amino-6-[[4-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonic acid > (6E)-4-amino-6-[[4-[4-[(2Z)-2-(8-amino-1-oxo-5,7-disulfonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonic acid > (6E)-4-azanyl-6-[[4-[4-[(2Z)-2-(8-azanyl-1-oxidanylidene-5,7-disulfo-naphthalen-2-ylidene)hydrazinyl]-3-methyl-phenyl]-2-methyl-phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-1,3-disulfonic acid > (6E)-4-amino-6-[[4-[4-[(N'Z)-N'-(8-amino-1-keto-5,7-disulfo-2-naphthylidene)hydrazino]-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-5-keto-naphthalene-1,3-disulfonic acid > InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-23-,40-24+ > LIRUWPZKVZZTHC-ODXITWNISA-N > 2.4 > 872.05463428 > C34H28N6O14S4 > 872.9 > CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C=CC4=C(C3=O)C(=C(C=C4S(=O)(=O)O)S(=O)(=O)O)N)C)NN=C5C=CC6=C(C5=O)C(=C(C=C6S(=O)(=O)O)S(=O)(=O)O)N > CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C\3/C=CC4=C(C3=O)C(=C(C=C4S(=O)(=O)O)S(=O)(=O)O)N)C)N/N=C/5\C=CC6=C(C5=O)C(=C(C=C6S(=O)(=O)O)S(=O)(=O)O)N > 386 > 872.05463428 > 0 > 58 > 0 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 25 27 8 25 29 8 26 28 8 26 30 8 27 31 8 28 32 8 29 35 8 30 36 8 31 33 8 32 34 8 33 35 8 34 36 8 45 51 8 45 53 8 46 52 8 46 54 8 47 49 8 47 55 8 48 50 8 48 56 8 49 51 8 50 52 8 53 55 8 54 56 8 $$$$