6-[[3-methyl-4-[[2-methyl-4-[(4-oxidanyl-6-sulfo-naphthalen-2-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-8-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[[3-methyl-4-[[2-methyl-4-[(4-oxidanyl-6-sulfo-naphthalen-2-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-8-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 8-hydroxy-6-[4-[[4-[(4-hydroxy-6-sulfo-2-naphthyl)amino]-2-methyl-benzoyl]carbamoylcarbamoyl]-3-methyl-anilino]naphthalene-2-sulfonic acid CAS Name: 8-hydroxy-6-[4-[[[[[[4-[(4-hydroxy-6-sulfo-2-naphthalenyl)amino]-2-methylphenyl]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-3-methylanilino]-2-naphthalenesulfonic acid IUPAC Name: 8-hydroxy-6-[4-[[4-[(4-hydroxy-6-sulfonaphthalen-2-yl)amino]-2-methylbenzoyl]carbamoylcarbamoyl]-3-methylanilino]naphthalene-2-sulfonic acid Traditional Name: 8-hydroxy-6-[4-[[4-[(4-hydroxy-6-sulfo-2-naphthyl)amino]-2-methyl-benzoyl]carbamoylcarbamoyl]-3-methyl-anilino]naphthalene-2-sulfonic acid Formula: C37H30N4O11S2 MolecularWeight: 770.7843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=CC(=C3C=C(C=CC3=C2)S(=O)(=O)O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=CC(=C6C=C(C=CC6=C5)S(=O)(=O)O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=CC(=C3C=C(C=CC3=C2)S(=O)(=O)O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=CC(=C6C=C(C=CC6=C5)S(=O)(=O)O)O)C

InChI

InChI=1S/C37H30N4O11S2/c1-19-11-23(38-25-13-21-3-7-27(53(47,48)49)17-31(21)33(42)15-25)5-9-29(19)35(44)40-37(46)41-36(45)30-10-6-24(12-20(30)2)39-26-14-22-4-8-28(54(50,51)52)18-32(22)34(43)16-26/h3-18,38-39,42-43H,1-2H3,(H,47,48,49)(H,50,51,52)(H2,40,41,44,45,46)