(3aS,6aS)-3a,6a-dimethyl-1-phenylsulfanyl-3,4,5,6-tetrahydro-1H-pentalen-2-one

Systemtic Name: (3aS,6aS)-3a,6a-dimethyl-1-phenylsulfanyl-3,4,5,6-tetrahydro-1H-pentalen-2-one Openeye Name: (3aS,6aS)-3a,6a-dimethyl-1-phenylsulfanyl-3,4,5,6-tetrahydro-1H-pentalen-2-one CAS Name: (3aS,6aS)-3a,6a-dimethyl-1-(phenylthio)-3,4,5,6-tetrahydro-1H-pentalen-2-one IUPAC Name: (3aS,6aS)-3a,6a-dimethyl-1-phenylsulfanyl-3,4,5,6-tetrahydro-1H-pentalen-2-one Traditional Name: (3aS,6aS)-3a,6a-dimethyl-1-(phenylthio)-3,4,5,6-tetrahydro-1H-pentalen-2-one Formula: C16H20OS MolecularWeight: 260.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC1(C(C(=O)C2)SC3=CC=CC=C3)C

Isomeric SMILES

C[C@@]12CCC[C@@]1(C(C(=O)C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C16H20OS/c1-15-9-6-10-16(15,2)14(13(17)11-15)18-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3/t14?,15-,16+/m0/s1