7-[[3-methyl-4-[[2-methyl-4-[(5-oxidanyl-8-sulfo-naphthalen-2-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 7-[[3-methyl-4-[[2-methyl-4-[(5-oxidanyl-8-sulfo-naphthalen-2-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-7-[4-[[4-[(5-hydroxy-8-sulfo-2-naphthyl)amino]-2-methyl-benzoyl]carbamoylcarbamoyl]-3-methyl-anilino]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-7-[4-[[[[[[4-[(5-hydroxy-8-sulfo-2-naphthalenyl)amino]-2-methylphenyl]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-3-methylanilino]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-7-[4-[[4-[(5-hydroxy-8-sulfonaphthalen-2-yl)amino]-2-methylbenzoyl]carbamoylcarbamoyl]-3-methylanilino]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-7-[4-[[4-[(5-hydroxy-8-sulfo-2-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=CC3=C(C=CC(=C3C=C2)O)S(=O)(=O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=CC6=C(C=CC(=C6C=C5)O)S(=O)(=O)O)C

Isomeric SMILES

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

InChI

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