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

Systemtic Name: disodium (3Z)-3-[(2-methylphenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-3-(o-tolylhydrazono)-4-oxo-5-(p-tolylsulfonylamino)naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-3-[(2-methylphenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-3-[(2-methylphenyl)hydrazinylidene]-5-[(4-methylphenyl)sulfonylamino]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-4-keto-3-(o-tolylhydrazono)-5-(tosylamino)naphthalene-2,7-disulfonate Formula: C24H19N3Na2O9S3 MolecularWeight: 635.5969

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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=CC=C4C)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=CC=C4C)/C3=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C24H21N3O9S3.2Na/c1-14-7-9-17(10-8-14)37(29,30)27-20-13-18(38(31,32)33)11-16-12-21(39(34,35)36)23(24(28)22(16)20)26-25-19-6-4-3-5-15(19)2;;/h3-13,25,27H,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b26-23+;;