5-[[3-methyl-4-[[2-methyl-4-[(8-oxidanyl-5-sulfo-naphthalen-1-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 5-[[3-methyl-4-[[2-methyl-4-[(8-oxidanyl-5-sulfo-naphthalen-1-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-5-[4-[[4-[(8-hydroxy-5-sulfo-1-naphthyl)amino]-2-methyl-benzoyl]carbamoylcarbamoyl]-3-methyl-anilino]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-5-[4-[[[[[[4-[(8-hydroxy-5-sulfo-1-naphthalenyl)amino]-2-methylphenyl]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-3-methylanilino]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-5-[4-[[4-[(8-hydroxy-5-sulfonaphthalen-1-yl)amino]-2-methylbenzoyl]carbamoylcarbamoyl]-3-methylanilino]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-5-[4-[[4-[(8-hydroxy-5-sulfo-1-naphthyl)amino]-2-methyl-benzoyl]carbamoylcarbamoyl]-3-methyl-anilino]naphthalene-1-sulfonic acid Formula: C37H30N4O11S2 MolecularWeight: 770.7843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=CC=CC3=C(C=CC(=C32)O)S(=O)(=O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=CC=CC6=C(C=CC(=C65)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=CC=CC3=C(C=CC(=C32)O)S(=O)(=O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=CC=CC6=C(C=CC(=C65)O)S(=O)(=O)O)C

InChI

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