disodium 8-[(4-methylphenyl)amino]-4-[(4-phenyldiazenyl-6-sulfonato-naphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 8-[(4-methylphenyl)amino]-4-[(4-phenyldiazenyl-6-sulfonato-naphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 8-(4-methylanilino)-4-[(4-phenylazo-6-sulfonato-1-naphthyl)azo]naphthalene-1-sulfonate CAS Name: disodium 8-(4-methylanilino)-4-[(4-phenyldiazenyl-6-sulfonato-1-naphthalenyl)azo]-1-naphthalenesulfonate IUPAC Name: disodium 8-(4-methylanilino)-4-[(4-phenyldiazenyl-6-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-[(4-phenylazo-6-sulfonato-1-naphthyl)azo]-8-(p-toluidino)naphthalene-1-sulfonate Formula: C33H23N5Na2O6S2 MolecularWeight: 695.67516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC=CC3=C(C=CC(=C32)S(=O)(=O)[O-])N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC=CC3=C(C=CC(=C32)S(=O)(=O)[O-])N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=CC=CC=C6)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C33H25N5O6S2.2Na/c1-21-10-12-22(13-11-21)34-31-9-5-8-26-29(18-19-32(33(26)31)46(42,43)44)38-37-28-16-17-30(36-35-23-6-3-2-4-7-23)27-20-24(45(39,40)41)14-15-25(27)28;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2