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2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid
2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-3-methyl-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid
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Canonical SMILES:
CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)C)CN(CC(=O)O)CC(=O)O)O
Isomeric SMILES
CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)C)CN(CC(=O)O)CC(=O)O)O
InChI
InChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)
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