(4E)-4-[[5-methyl-2-(4-methylsulfonylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[[5-methyl-2-(4-methylsulfonylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[5-methyl-2-(4-methylsulfonylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[5-methyl-2-(4-methylsulfonylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[5-methyl-2-(4-methylsulfonylphenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-3-keto-4-[[5-keto-1-(4-mesylphenyl)-3-methyl-3-pyrazolin-4-yl]hydrazono]naphthalene-1-sulfonic acid Formula: C21H18N4O7S2 MolecularWeight: 502.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)C)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)C)N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C21H18N4O7S2/c1-12-19(21(27)25(24-12)13-7-9-14(10-8-13)33(2,28)29)22-23-20-16-6-4-3-5-15(16)18(11-17(20)26)34(30,31)32/h3-11,22,24H,1-2H3,(H,30,31,32)/b23-20+