104978 -OEChem-05102406252D 83 87 0 0 0 0 0 0 0999 V2000 9.0602 -2.3088 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3088 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -4.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -4.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 2.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 3.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 4.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 3.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.6671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.1671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -3.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -3.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -4.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -4.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -3.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -3.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 1.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 3.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 3.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -1.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -1.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 0.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 -1.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 2.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 2.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 1.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 2.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 -4.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -4.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 -0.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 -0.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3928 1.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 1.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6482 3.7497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2497 3.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 1.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3928 1.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9953 1.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0144 -0.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 -0.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6344 0.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0579 -4.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 1.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 4.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 4.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 3.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 38 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 23 1 0 0 0 0 4 35 1 0 0 0 0 5 40 1 0 0 0 0 5 42 1 0 0 0 0 6 37 1 0 0 0 0 6 79 1 0 0 0 0 7 41 2 0 0 0 0 8 48 1 0 0 0 0 8 80 1 0 0 0 0 9 49 1 0 0 0 0 9 81 1 0 0 0 0 10 48 2 0 0 0 0 11 49 2 0 0 0 0 12 52 1 0 0 0 0 12 82 1 0 0 0 0 13 53 1 0 0 0 0 13 83 1 0 0 0 0 14 52 2 0 0 0 0 15 53 2 0 0 0 0 16 22 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 39 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 24 2 0 0 0 0 19 27 1 0 0 0 0 20 25 1 0 0 0 0 20 29 2 0 0 0 0 21 26 1 0 0 0 0 21 30 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 54 1 0 0 0 0 25 33 2 0 0 0 0 26 34 2 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 36 1 0 0 0 0 29 57 1 0 0 0 0 30 38 2 0 0 0 0 30 58 1 0 0 0 0 31 48 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 49 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 37 1 0 0 0 0 33 63 1 0 0 0 0 34 41 1 0 0 0 0 34 64 1 0 0 0 0 35 40 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 2 0 0 0 0 38 41 1 0 0 0 0 39 42 2 0 0 0 0 39 44 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 42 43 1 0 0 0 0 43 47 2 0 0 0 0 43 69 1 0 0 0 0 44 50 2 0 0 0 0 44 70 1 0 0 0 0 45 52 1 0 0 0 0 45 71 1 0 0 0 0 45 72 1 0 0 0 0 46 53 1 0 0 0 0 46 73 1 0 0 0 0 46 74 1 0 0 0 0 47 50 1 0 0 0 0 47 51 1 0 0 0 0 50 75 1 0 0 0 0 51 76 1 0 0 0 0 51 77 1 0 0 0 0 51 78 1 0 0 0 0 M END > 104978 > 1 > 1490 > 15 > 5 > 16 > AAADceB/PAAGAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBUAAAHgIACAAADA7hmCYyzoMABgCIAqTSSACCCAAhJ0AIiACPb8hPJyLHs7uHeCjlwBXa+YeQ4PwOKCABKAAIGABQQAJQABAwAAAAAAAAAA== > 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxo-xanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid > 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxo-9-xanthenyl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid > 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid > 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid > 2-[[2-[2-[5-[2,7-bis(chloranyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-2-[bis(2-hydroxy-2-oxoethyl)amino]phenoxy]ethoxy]-4-methyl-phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid > 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-keto-xanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid > InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50) > OZLGRUXZXMRXGP-UHFFFAOYSA-N > 5 > 768.1124944 > C36H30Cl2N2O13 > 769.5 > CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)O)Cl)N(CC(=O)O)CC(=O)O > CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)O)Cl)N(CC(=O)O)CC(=O)O > 221 > 768.1124944 > 0 > 53 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 20 8 18 21 8 19 24 8 19 27 8 20 25 8 20 29 8 21 30 8 22 23 8 22 28 8 23 24 8 25 33 8 26 34 8 27 28 8 29 36 8 3 25 8 3 26 8 30 38 8 33 37 8 34 41 8 36 37 8 38 41 8 39 42 8 39 44 8 42 43 8 43 47 8 44 50 8 47 50 8 $$$$