(1R,6S)-6-(phenylmethylsulfanyl)carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-(phenylmethylsulfanyl)carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-benzylsulfanylcarbonylcyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[oxo-(phenylmethylthio)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-benzylsulfanylcarbonylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(benzylthio)carbonylcyclohex-3-ene-1-carboxylic acid Formula: C15H16O3S MolecularWeight: 276.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)O)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)O)C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C15H16O3S/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-7,12-13H,8-10H2,(H,16,17)/t12-,13+/m1/s1