7-[[4-[(4-benzamido-7-sulfo-naphthalen-1-yl)diazenyl]-2-methyl-phenyl]diazenyl]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[4-[(4-benzamido-7-sulfo-naphthalen-1-yl)diazenyl]-2-methyl-phenyl]diazenyl]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[4-[(4-benzamido-7-sulfo-1-naphthyl)azo]-2-methyl-phenyl]azo-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[4-[(4-benzamido-7-sulfo-1-naphthalenyl)azo]-2-methylphenyl]azo-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[[4-[(4-benzamido-7-sulfonaphthalen-1-yl)diazenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[4-[(4-benzamido-7-sulfo-1-naphthyl)azo]-2-methyl-phenyl]azo-4-hydroxy-naphthalene-2-sulfonic acid Formula: C34H25N5O8S2 MolecularWeight: 695.721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H25N5O8S2/c1-20-15-23(8-12-30(20)38-37-24-7-10-27-22(16-24)17-26(19-33(27)40)49(45,46)47)36-39-32-14-13-31(35-34(41)21-5-3-2-4-6-21)28-11-9-25(18-29(28)32)48(42,43)44/h2-19,40H,1H3,(H,35,41)(H,42,43,44)(H,45,46,47)