disodium 6-oxidanylidene-5-[[4-[(4-phenylazanyl-3-sulfonato-phenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: disodium 6-oxidanylidene-5-[[4-[(4-phenylazanyl-3-sulfonato-phenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium 5-[[4-(4-anilino-3-sulfonato-phenyl)azo-1-naphthyl]hydrazono]-6-oxo-naphthalene-2-sulfonate CAS Name: disodium 5-[[4-(4-anilino-3-sulfonatophenyl)azo-1-naphthalenyl]hydrazinylidene]-6-oxo-2-naphthalenesulfonate IUPAC Name: disodium 5-[[4-[(4-anilino-3-sulfonatophenyl)diazenyl]naphthalen-1-yl]hydrazinylidene]-6-oxonaphthalene-2-sulfonate Traditional Name: disodium 5-[[4-(4-anilino-3-sulfonato-phenyl)azo-1-naphthyl]hydrazono]-6-keto-naphthalene-2-sulfonate Formula: C32H21N5Na2O7S2 MolecularWeight: 697.64798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)NN=C5C6=C(C=CC5=O)C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)NN=C5C6=C(C=CC5=O)C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H23N5O7S2.2Na/c38-30-17-10-20-18-23(45(39,40)41)12-13-24(20)32(30)37-36-28-16-15-27(25-8-4-5-9-26(25)28)35-34-22-11-14-29(31(19-22)46(42,43)44)33-21-6-2-1-3-7-21;;/h1-19,33,36H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2