7-[[3-methyl-4-[[2-methyl-4-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[3-methyl-4-[[2-methyl-4-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-7-[4-[[4-[(5-hydroxy-7-sulfo-2-naphthyl)amino]-2-methyl-benzoyl]carbamoylcarbamoyl]-3-methyl-anilino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-7-[4-[[[[[[4-[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-2-methylphenyl]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-3-methylanilino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[4-[[4-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]-2-methylbenzoyl]carbamoylcarbamoyl]-3-methylanilino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-7-[4-[[4-[(5-hydroxy-7-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=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)O)C

Isomeric SMILES

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

InChI

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