4-[(4Z)-3-methyl-5-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonate

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonate Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-1-yl]benzenesulfonate CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-1-pyrazolyl]benzenesulfonate IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzenesulfonate Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(3,4,5-trimethoxybenzylidene)-2-pyrazolin-1-yl]besylate Formula: C20H19N2O7S- MolecularWeight: 431.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C20H20N2O7S/c1-12-16(9-13-10-17(27-2)19(29-4)18(11-13)28-3)20(23)22(21-12)14-5-7-15(8-6-14)30(24,25)26/h5-11H,1-4H3,(H,24,25,26)/p-1/b16-9-