(1S,4R,8S)-2,2-dimethoxy-8-phenylsulfanyl-bicyclo[2.2.2]oct-5-en-3-one

Systemtic Name: (1S,4R,8S)-2,2-dimethoxy-8-phenylsulfanyl-bicyclo[2.2.2]oct-5-en-3-one Openeye Name: (1S,4R,8S)-2,2-dimethoxy-8-phenylsulfanyl-bicyclo[2.2.2]oct-5-en-3-one CAS Name: (1S,4R,8S)-2,2-dimethoxy-8-(phenylthio)-3-bicyclo[2.2.2]oct-5-enone IUPAC Name: (1S,4R,8S)-2,2-dimethoxy-8-phenylsulfanylbicyclo[2.2.2]oct-5-en-3-one Traditional Name: (1S,4R,8S)-2,2-dimethoxy-8-(phenylthio)bicyclo[2.2.2]oct-5-en-3-one Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2CC(C(C1=O)C=C2)SC3=CC=CC=C3)OC

Isomeric SMILES

COC1([C@H]2C[C@@H]([C@@H](C1=O)C=C2)SC3=CC=CC=C3)OC

InChI

InChI=1S/C16H18O3S/c1-18-16(19-2)11-8-9-13(15(16)17)14(10-11)20-12-6-4-3-5-7-12/h3-9,11,13-14H,10H2,1-2H3/t11-,13+,14+/m1/s1