(3aS,6aR)-3a,6a-dimethyl-5-(phenylmethylidene)-1,3,4,6-tetrahydropentalen-2-one

Systemtic Name: (3aS,6aR)-3a,6a-dimethyl-5-(phenylmethylidene)-1,3,4,6-tetrahydropentalen-2-one Openeye Name: (3aS,6aR)-5-benzylidene-3a,6a-dimethyl-1,3,4,6-tetrahydropentalen-2-one CAS Name: (3aS,6aR)-3a,6a-dimethyl-5-(phenylmethylene)-1,3,4,6-tetrahydropentalen-2-one IUPAC Name: (3aS,6aR)-5-benzylidene-3a,6a-dimethyl-1,3,4,6-tetrahydropentalen-2-one Traditional Name: (3aS,6aR)-5-benzal-3a,6a-dimethyl-1,3,4,6-tetrahydropentalen-2-one Formula: C17H20O MolecularWeight: 240.3401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=CC3=CC=CC=C3)CC1(CC(=O)C2)C

Isomeric SMILES

C[C@]12CC(=CC3=CC=CC=C3)C[C@]1(CC(=O)C2)C

InChI

InChI=1S/C17H20O/c1-16-9-14(8-13-6-4-3-5-7-13)10-17(16,2)12-15(18)11-16/h3-8H,9-12H2,1-2H3/t16-,17+