4-[(4Z)-3-methyl-5-oxidanylidene-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-(3,5,5-trimethyl-1-cyclohex-2-enylidene)-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)-2-pyrazolin-1-yl]besylic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)CC(C1)(C)C

Isomeric SMILES

CC1=C/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)/CC(C1)(C)C

InChI

InChI=1S/C19H22N2O4S/c1-12-9-14(11-19(3,4)10-12)17-13(2)20-21(18(17)22)15-5-7-16(8-6-15)26(23,24)25/h5-9H,10-11H2,1-4H3,(H,23,24,25)/b17-14+