(7E)-7-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-8-oxidanylidene-naphthalene-1,3-disulfonic acid

Systemtic Name: (7E)-7-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)hydrazinylidene]-8-oxidanylidene-naphthalene-1,3-disulfonic acid Openeye Name: (7E)-7-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)hydrazono]-8-oxo-naphthalene-1,3-disulfonic acid CAS Name: (7E)-7-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)hydrazinylidene]-8-oxonaphthalene-1,3-disulfonic acid IUPAC Name: (7E)-7-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hydrazinylidene]-8-oxonaphthalene-1,3-disulfonic acid Traditional Name: (7E)-8-keto-7-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)hydrazono]naphthalene-1,3-disulfonic acid Formula: C21H18N4O8S2 MolecularWeight: 518.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NN=C3C=CC4=CC(=CC(=C4C3=O)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=CC(=CC(=C4C3=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H18N4O8S2/c1-12-19(21(27)25(24(12)2)14-6-4-3-5-7-14)23-22-16-9-8-13-10-15(34(28,29)30)11-17(35(31,32)33)18(13)20(16)26/h3-11,23H,1-2H3,(H,28,29,30)(H,31,32,33)/b22-16+