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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-cyclohexyl-pyrazole-4-carboxylic acid Openeye Name: 3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid CAS Name: 3-cyclohexyl-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid Traditional Name: 3-cyclohexyl-1-(1,1-diketothiolan-3-yl)pyrazole-4-carboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C=C2C(=O)O)C3CCS(=O)(=O)C3

Isomeric SMILES

C1CCC(CC1)C2=NN(C=C2C(=O)O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C14H20N2O4S/c17-14(18)12-8-16(11-6-7-21(19,20)9-11)15-13(12)10-4-2-1-3-5-10/h8,10-11H,1-7,9H2,(H,17,18)