methyl 4-azanyl-3-[[4-[4-[(1-azanyl-4-methoxysulfonyl-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: methyl 4-azanyl-3-[[4-[4-[(1-azanyl-4-methoxysulfonyl-naphthalen-2-yl)diazenyl]-3-methyl-phenyl]-2-methyl-phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: methyl 4-amino-3-[4-[4-[(1-amino-4-methoxysulfonyl-2-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonate CAS Name: 4-amino-3-[4-[4-[(1-amino-4-methoxysulfonyl-2-naphthalenyl)azo]-3-methylphenyl]-2-methylphenyl]azo-1-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 4-amino-3-[[4-[4-[(1-amino-4-methoxysulfonylnaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: 4-amino-3-[4-[4-[(1-amino-4-methoxysulfonyl-2-naphthyl)azo]-3-methyl-phenyl]-2-methyl-phenyl]azo-naphthalene-1-sulfonic acid methyl ester Formula: C36H32N6O6S2 MolecularWeight: 708.80588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)OC)N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)OC)N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)OC)N)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)OC)N

InChI

InChI=1S/C36H32N6O6S2/c1-21-17-23(13-15-29(21)39-41-31-19-33(49(43,44)47-3)25-9-5-7-11-27(25)35(31)37)24-14-16-30(22(2)18-24)40-42-32-20-34(50(45,46)48-4)26-10-6-8-12-28(26)36(32)38/h5-20H,37-38H2,1-4H3