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

Systemtic Name: disodium (3Z)-3-[[4-[(2,4-dimethyl-6-sulfonato-phenyl)diazenyl]-2-methoxy-5-methyl-phenyl]hydrazinylidene]-4-oxidanylidene-7-phenylazanyl-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-7-anilino-3-[[4-(2,4-dimethyl-6-sulfonato-phenyl)azo-2-methoxy-5-methyl-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-7-anilino-3-[[4-(2,4-dimethyl-6-sulfonatophenyl)azo-2-methoxy-5-methylphenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-7-anilino-3-[[4-[(2,4-dimethyl-6-sulfonatophenyl)diazenyl]-2-methoxy-5-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-7-anilino-3-[[4-(2,4-dimethyl-6-sulfonato-phenyl)azo-2-methoxy-5-methyl-phenyl]hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C32H27N5Na2O8S2 MolecularWeight: 719.69502

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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)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)S(=O)(=O)[O-])OC)C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)[O-])N=NC2=CC(=C(C=C2C)N/N=C/3\C(=CC4=C(C3=O)C=CC(=C4)NC5=CC=CC=C5)S(=O)(=O)[O-])OC)C.[Na+].[Na+]

InChI

InChI=1S/C32H29N5O8S2.2Na/c1-18-12-20(3)30(28(13-18)46(39,40)41)36-34-25-17-27(45-4)26(14-19(25)2)35-37-31-29(47(42,43)44)16-21-15-23(10-11-24(21)32(31)38)33-22-8-6-5-7-9-22;;/h5-17,33,35H,1-4H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b36-34?,37-31+;;