2-[3-(4-bromophenyl)sulfanyl-4-oxidanylidene-cyclohexyl]ethanoic acid

Systemtic Name: 2-[3-(4-bromophenyl)sulfanyl-4-oxidanylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[3-(4-bromophenyl)sulfanyl-4-oxo-cyclohexyl]acetic acid CAS Name: 2-[3-[(4-bromophenyl)thio]-4-oxocyclohexyl]acetic acid IUPAC Name: 2-[3-(4-bromophenyl)sulfanyl-4-oxocyclohexyl]acetic acid Traditional Name: 2-[3-[(4-bromophenyl)thio]-4-keto-cyclohexyl]acetic acid Formula: C14H15BrO3S MolecularWeight: 343.2361

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1CC(=O)O)SC2=CC=C(C=C2)Br

Isomeric SMILES

C1CC(=O)C(CC1CC(=O)O)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H15BrO3S/c15-10-2-4-11(5-3-10)19-13-7-9(8-14(17)18)1-6-12(13)16/h2-5,9,13H,1,6-8H2,(H,17,18)