1-butan-2-ylsulfanylpropan-2-yl 2-chloranyl-4-fluoranyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 1-butan-2-ylsulfanylpropan-2-yl 2-chloranyl-4-fluoranyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: (1-methyl-2-sec-butylsulfanyl-ethyl) 2-chloro-4-fluoro-cyclohexa-1,3-diene-1-carboxylate CAS Name: 2-chloro-4-fluoro-1-cyclohexa-1,3-dienecarboxylic acid 1-(butan-2-ylthio)propan-2-yl ester IUPAC Name: 1-butan-2-ylsulfanylpropan-2-yl 2-chloro-4-fluorocyclohexa-1,3-diene-1-carboxylate Traditional Name: 2-chloro-4-fluoro-cyclohexa-1,3-diene-1-carboxylic acid [1-methyl-2-(sec-butylthio)ethyl] ester Formula: C14H20ClFO2S MolecularWeight: 306.823803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC(C)OC(=O)C1=C(C=C(CC1)F)Cl

Isomeric SMILES

CCC(C)SCC(C)OC(=O)C1=C(C=C(CC1)F)Cl

InChI

InChI=1S/C14H20ClFO2S/c1-4-10(3)19-8-9(2)18-14(17)12-6-5-11(16)7-13(12)15/h7,9-10H,4-6,8H2,1-3H3