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

Systemtic Name: disodium (3Z)-5-azanyl-3-[(2-methylphenyl)hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (6Z)-4-amino-3-(4-nitrophenyl)azo-6-(o-tolylhydrazono)-5-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-amino-3-[(2-methylphenyl)hydrazinylidene]-6-(4-nitrophenyl)azo-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-amino-3-[(2-methylphenyl)hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (6Z)-4-amino-5-keto-3-(4-nitrophenyl)azo-6-(o-tolylhydrazono)naphthalene-2,7-disulfonate Formula: C23H16N6Na2O9S2 MolecularWeight: 630.51748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=CC=C1N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H18N6O9S2.2Na/c1-12-4-2-3-5-16(12)26-28-22-18(40(36,37)38)11-13-10-17(39(33,34)35)21(20(24)19(13)23(22)30)27-25-14-6-8-15(9-7-14)29(31)32;;/h2-11,26H,24H2,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b27-25?,28-22+;;