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

Systemtic Name: 3-[[4-[(2,4-dimethyl-6-sulfonato-phenyl)diazenyl]-2,5-dimethyl-phenyl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonate Openeye Name: 7-anilino-3-[[4-(2,4-dimethyl-6-sulfonato-phenyl)azo-2,5-dimethyl-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: 7-anilino-3-[[4-(2,4-dimethyl-6-sulfonatophenyl)azo-2,5-dimethylphenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: 7-anilino-3-[[4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2,5-dimethylphenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: 7-anilino-3-[[4-(2,4-dimethyl-6-sulfonato-phenyl)azo-2,5-dimethyl-phenyl]hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C32H27N5O7S2-2 MolecularWeight: 657.71608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C(=C2)C)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)S(=O)(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C(=C2)C)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)S(=O)(=O)[O-])C)C

InChI

InChI=1S/C32H29N5O7S2/c1-18-12-21(4)30(28(13-18)45(39,40)41)36-34-26-14-20(3)27(15-19(26)2)35-37-31-29(46(42,43)44)17-22-16-24(10-11-25(22)32(31)38)33-23-8-6-5-7-9-23/h5-17,33,35H,1-4H3,(H,39,40,41)(H,42,43,44)/p-2