4-[(4S)-4-ethyl-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4S)-4-ethyl-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4S)-4-ethyl-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4S)-4-ethyl-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[(4S)-4-ethyl-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4S)-4-ethyl-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC[C@H]1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C12H14N2O4S/c1-3-11-8(2)13-14(12(11)15)9-4-6-10(7-5-9)19(16,17)18/h4-7,11H,3H2,1-2H3,(H,16,17,18)/t11-/m0/s1