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

Systemtic Name: disodium (3Z)-5-[(4-methylphenyl)sulfonylamino]-3-[(4-nitrophenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-3-[(4-nitrophenyl)hydrazono]-4-oxo-5-(p-tolylsulfonylamino)naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-[(4-methylphenyl)sulfonylamino]-3-[(4-nitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-[(4-methylphenyl)sulfonylamino]-3-[(4-nitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-4-keto-3-[(4-nitrophenyl)hydrazono]-5-(tosylamino)naphthalene-2,7-disulfonate Formula: C23H16N4Na2O11S3 MolecularWeight: 666.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=C(C=C4)[N+](=O)[O-])C3=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=CC=C(C=C4)[N+](=O)[O-])/C3=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H18N4O11S3.2Na/c1-13-2-8-17(9-3-13)39(31,32)26-19-12-18(40(33,34)35)10-14-11-20(41(36,37)38)22(23(28)21(14)19)25-24-15-4-6-16(7-5-15)27(29)30;;/h2-12,24,26H,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b25-22+;;