disodium (6E)-4-azanyl-3-[(2-methyl-5-nitro-phenyl)diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

Systemtic Name: disodium (6E)-4-azanyl-3-[(2-methyl-5-nitro-phenyl)diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Openeye Name: disodium (6E)-4-amino-3-(2-methyl-5-nitro-phenyl)azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate CAS Name: disodium (6E)-4-amino-3-(2-methyl-5-nitrophenyl)azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate IUPAC Name: disodium (6E)-4-amino-3-[(2-methyl-5-nitrophenyl)diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate Traditional Name: disodium (6E)-4-amino-5-keto-3-(2-methyl-5-nitro-phenyl)azo-6-(phenylhydrazono)naphthalene-2,7-disulfonate Formula: C23H16N6Na2O9S2 MolecularWeight: 630.51748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C=C3C=C(C(=NNC4=CC=CC=C4)C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C=C3C=C(/C(=N/NC4=CC=CC=C4)/C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

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