1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-tert-butyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-tert-butyl-pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-1-(1,1-diketothiolan-3-yl)pyrazole-4-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1C(=O)O)C2CCS(=O)(=O)C2

Isomeric SMILES

CC(C)(C)C1=NN(C=C1C(=O)O)C2CCS(=O)(=O)C2

InChI

InChI=1S/C12H18N2O4S/c1-12(2,3)10-9(11(15)16)6-14(13-10)8-4-5-19(17,18)7-8/h6,8H,4-5,7H2,1-3H3,(H,15,16)