4-[(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-4-[(2,4-dimethoxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-4-(2,4-dimethoxybenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6S/c1-12-17(10-13-4-7-15(26-2)11-18(13)27-3)19(22)21(20-12)14-5-8-16(9-6-14)28(23,24)25/h4-11H,1-3H3,(H,23,24,25)/b17-10-