methyl 1-(2-bromophenyl)sulfanylcyclohexane-1-carboxylate

Systemtic Name: methyl 1-(2-bromophenyl)sulfanylcyclohexane-1-carboxylate Openeye Name: methyl 1-(2-bromophenyl)sulfanylcyclohexanecarboxylate CAS Name: 1-[(2-bromophenyl)thio]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-bromophenyl)sulfanylcyclohexane-1-carboxylate Traditional Name: 1-[(2-bromophenyl)thio]cyclohexanecarboxylic acid methyl ester Formula: C14H17BrO2S MolecularWeight: 329.25258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)SC2=CC=CC=C2Br

Isomeric SMILES

COC(=O)C1(CCCCC1)SC2=CC=CC=C2Br

InChI

InChI=1S/C14H17BrO2S/c1-17-13(16)14(9-5-2-6-10-14)18-12-8-4-3-7-11(12)15/h3-4,7-8H,2,5-6,9-10H2,1H3