4-[[2-methyl-5-[[4-methyl-3-[(7-oxidanyl-4-sulfo-naphthalen-1-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-6-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 4-[[2-methyl-5-[[4-methyl-3-[(7-oxidanyl-4-sulfo-naphthalen-1-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-6-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 6-hydroxy-4-[5-[[3-[(7-hydroxy-4-sulfo-1-naphthyl)amino]-4-methyl-benzoyl]carbamoylcarbamoyl]-2-methyl-anilino]naphthalene-1-sulfonic acid CAS Name: 6-hydroxy-4-[5-[[[[[[3-[(7-hydroxy-4-sulfo-1-naphthalenyl)amino]-4-methylphenyl]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-2-methylanilino]-1-naphthalenesulfonic acid IUPAC Name: 6-hydroxy-4-[5-[[3-[(7-hydroxy-4-sulfonaphthalen-1-yl)amino]-4-methylbenzoyl]carbamoylcarbamoyl]-2-methylanilino]naphthalene-1-sulfonic acid Traditional Name: 6-hydroxy-4-[5-[[3-[(7-hydroxy-4-sulfo-1-naphthyl)amino]-4-methyl-benzoyl]carbamoylcarbamoyl]-2-methyl-anilino]naphthalene-1-sulfonic acid Formula: C37H30N4O11S2 MolecularWeight: 770.7843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=O)NC(=O)C2=CC(=C(C=C2)C)NC3=C4C=C(C=CC4=C(C=C3)S(=O)(=O)O)O)NC5=C6C=C(C=CC6=C(C=C5)S(=O)(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=O)NC(=O)C2=CC(=C(C=C2)C)NC3=C4C=C(C=CC4=C(C=C3)S(=O)(=O)O)O)NC5=C6C=C(C=CC6=C(C=C5)S(=O)(=O)O)O

InChI

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