8-[[3-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]-5-[[4-[(4-nitro-2-sulfo-phenyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 8-[[3-methyl-4-(4-methylphenyl)sulfonyloxy-phenyl]diazenyl]-5-[[4-[(4-nitro-2-sulfo-phenyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid Openeye Name: 8-[3-methyl-4-(p-tolylsulfonyloxy)phenyl]azo-5-[4-(4-nitro-2-sulfo-anilino)phenyl]azo-naphthalene-2-sulfonic acid CAS Name: 8-[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]azo-5-[4-(4-nitro-2-sulfoanilino)phenyl]azo-2-naphthalenesulfonic acid IUPAC Name: 8-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]naphthalene-2-sulfonic acid Traditional Name: 8-(3-methyl-4-tosyloxy-phenyl)azo-5-[4-(4-nitro-2-sulfo-anilino)phenyl]azo-naphthalene-2-sulfonic acid Formula: C36H28N6O11S3 MolecularWeight: 816.83612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C36H28N6O11S3/c1-22-3-11-28(12-4-22)56(51,52)53-35-18-9-26(19-23(35)2)39-41-33-17-16-32(30-14-13-29(21-31(30)33)54(45,46)47)40-38-25-7-5-24(6-8-25)37-34-15-10-27(42(43)44)20-36(34)55(48,49)50/h3-21,37H,1-2H3,(H,45,46,47)(H,48,49,50)