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

Systemtic Name: 8-[[2-methyl-5-[[4-methyl-3-[(5-oxidanyl-7-sulfo-naphthalen-1-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-8-[5-[[3-[(5-hydroxy-7-sulfo-1-naphthyl)amino]-4-methyl-benzoyl]carbamoylcarbamoyl]-2-methyl-anilino]naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-8-[5-[[[[[[3-[(5-hydroxy-7-sulfo-1-naphthalenyl)amino]-4-methylphenyl]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-2-methylanilino]-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-8-[5-[[3-[(5-hydroxy-7-sulfonaphthalen-1-yl)amino]-4-methylbenzoyl]carbamoylcarbamoyl]-2-methylanilino]naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-8-[5-[[3-[(5-hydroxy-7-sulfo-1-naphthyl)amino]-4-methyl-benzoyl]carbamoylcarbamoyl]-2-methyl-anilino]naphthalene-2-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=CC=CC4=C(C=C(C=C43)S(=O)(=O)O)O)NC5=CC=CC6=C(C=C(C=C65)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=CC=CC4=C(C=C(C=C43)S(=O)(=O)O)O)NC5=CC=CC6=C(C=C(C=C65)S(=O)(=O)O)O

InChI

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