disodium 3-[[4-[(2,4-dimethyl-6-sulfonato-phenyl)diazenyl]-2,5-dimethyl-phenyl]diazenyl]-7-phenylazanyl-naphthalene-2-sulfonate

Systemtic Name: disodium 3-[[4-[(2,4-dimethyl-6-sulfonato-phenyl)diazenyl]-2,5-dimethyl-phenyl]diazenyl]-7-phenylazanyl-naphthalene-2-sulfonate Openeye Name: disodium 7-anilino-3-[4-(2,4-dimethyl-6-sulfonato-phenyl)azo-2,5-dimethyl-phenyl]azo-naphthalene-2-sulfonate CAS Name: disodium 7-anilino-3-[4-(2,4-dimethyl-6-sulfonatophenyl)azo-2,5-dimethylphenyl]azo-2-naphthalenesulfonate IUPAC Name: disodium 7-anilino-3-[[4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-2-sulfonate Traditional Name: disodium 7-anilino-3-[4-(2,4-dimethyl-6-sulfonato-phenyl)azo-2,5-dimethyl-phenyl]azo-naphthalene-2-sulfonate Formula: C32H27N5Na2O6S2 MolecularWeight: 687.69622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2=CC(=C(C=C2C)N=NC3=C(C=C4C=C(C=CC4=C3)NC5=CC=CC=C5)S(=O)(=O)[O-])C)C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2=CC(=C(C=C2C)N=NC3=C(C=C4C=C(C=CC4=C3)NC5=CC=CC=C5)S(=O)(=O)[O-])C)C.[Na+].[Na+]

InChI

InChI=1S/C32H29N5O6S2.2Na/c1-19-12-22(4)32(31(13-19)45(41,42)43)37-35-28-15-20(2)27(14-21(28)3)34-36-29-17-23-10-11-26(33-25-8-6-5-7-9-25)16-24(23)18-30(29)44(38,39)40;;/h5-18,33H,1-4H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2