disodium 4-azanyl-3-[(3-nitrophenyl)diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-azanyl-3-[(3-nitrophenyl)diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: disodium 4-amino-3-(3-nitrophenyl)azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: disodium 4-amino-3-(3-nitrophenyl)azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: disodium 4-amino-3-[(3-nitrophenyl)diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: disodium 4-amino-5-keto-3-(3-nitrophenyl)azo-6-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C22H14N6Na2O9S2 MolecularWeight: 616.4909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC(=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H16N6O9S2.2Na/c23-19-18-12(10-17(39(35,36)37)21(22(18)29)27-24-13-5-2-1-3-6-13)9-16(38(32,33)34)20(19)26-25-14-7-4-8-15(11-14)28(30)31;;/h1-11,24H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2