(3E)-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: (3E)-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: (3E)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: (3E)-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: (3E)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: (3E)-4-keto-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)hydrazono]naphthalene-2,7-disulfonate Formula: C21H16N4O8S2-2 MolecularWeight: 516.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C(=CC4=C(C3=O)C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C21H18N4O8S2/c1-12-18(21(27)25(24(12)2)14-6-4-3-5-7-14)22-23-19-17(35(31,32)33)11-13-10-15(34(28,29)30)8-9-16(13)20(19)26/h3-11,22H,1-2H3,(H,28,29,30)(H,31,32,33)/p-2/b23-19-