4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-2-methyl-phenyl]-3-methyl-phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]-2-methyl-phenyl]-3-methyl-phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-2-methyl-phenyl]-3-methyl-phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthalenyl)azo]-2-methylphenyl]-3-methylphenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-[4-[(1-amino-4-sulfo-2-naphthyl)azo]-2-methyl-phenyl]-3-methyl-phenyl]azo-naphthalene-1-sulfonic acid Formula: C34H28N6O6S2 MolecularWeight: 680.75272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)N)C4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N)C

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)N)C4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N)C

InChI

InChI=1S/C34H28N6O6S2/c1-19-15-21(37-39-29-17-31(47(41,42)43)25-7-3-5-9-27(25)33(29)35)11-13-23(19)24-14-12-22(16-20(24)2)38-40-30-18-32(48(44,45)46)26-8-4-6-10-28(26)34(30)36/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)