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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(1,1-dioxothiolan-3-yl)-3-propyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(1,1-dioxo-3-thiolanyl)-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(1,1-dioxothiolan-3-yl)-3-propylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(1,1-diketothiolan-3-yl)-3-propyl-pyrazole-4-carboxylic acid Formula: C11H15ClN2O4S MolecularWeight: 306.7658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)Cl)C2CCS(=O)(=O)C2

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)Cl)C2CCS(=O)(=O)C2

InChI

InChI=1S/C11H15ClN2O4S/c1-2-3-8-9(11(15)16)10(12)14(13-8)7-4-5-19(17,18)6-7/h7H,2-6H2,1H3,(H,15,16)