4-azanyl-3-[[4-[4-[(2-azanyl-6-sulfo-naphthalen-1-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[[4-[4-[(2-azanyl-6-sulfo-naphthalen-1-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-amino-3-[4-[4-[(2-amino-6-sulfo-1-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonic acid CAS Name: 4-amino-3-[4-[4-[(2-amino-6-sulfo-1-naphthalenyl)azo]-3-methylphenyl]-2-methylphenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 4-amino-3-[[4-[4-[(2-amino-6-sulfonaphthalen-1-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-amino-3-[4-[4-[(2-amino-6-sulfo-1-naphthyl)azo]-3-methyl-phenyl]-2-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)C2=CC(=C(C=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)N

InChI

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