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

Systemtic Name: 4-[[2-methyl-5-[[4-methyl-3-[(8-oxidanyl-4-sulfo-naphthalen-1-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-5-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 5-hydroxy-4-[5-[[3-[(8-hydroxy-4-sulfo-1-naphthyl)amino]-4-methyl-benzoyl]carbamoylcarbamoyl]-2-methyl-anilino]naphthalene-1-sulfonic acid CAS Name: 5-hydroxy-4-[5-[[[[[[3-[(8-hydroxy-4-sulfo-1-naphthalenyl)amino]-4-methylphenyl]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-2-methylanilino]-1-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-4-[5-[[3-[(8-hydroxy-4-sulfonaphthalen-1-yl)amino]-4-methylbenzoyl]carbamoylcarbamoyl]-2-methylanilino]naphthalene-1-sulfonic acid Traditional Name: 5-hydroxy-4-[5-[[3-[(8-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=C3)S(=O)(=O)O)C=CC=C4O)NC5=C6C(=C(C=C5)S(=O)(=O)O)C=CC=C6O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=O)NC(=O)C2=CC(=C(C=C2)C)NC3=C4C(=C(C=C3)S(=O)(=O)O)C=CC=C4O)NC5=C6C(=C(C=C5)S(=O)(=O)O)C=CC=C6O

InChI

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