1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(1,1-dioxo-3-thiolanyl)-3-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(1,1-diketothiolan-3-yl)-3-methyl-pyrazole-4-carboxylic acid Formula: C9H11ClN2O4S MolecularWeight: 278.71264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)Cl)C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)Cl)C2CCS(=O)(=O)C2

InChI

InChI=1S/C9H11ClN2O4S/c1-5-7(9(13)14)8(10)12(11-5)6-2-3-17(15,16)4-6/h6H,2-4H2,1H3,(H,13,14)