(3S,4aS,8aR)-8a-methyl-3-(6-oxidanylidenecyclohexen-1-yl)-4,4a,5,8-tetrahydro-3H-isochromen-1-one

Systemtic Name: (3S,4aS,8aR)-8a-methyl-3-(6-oxidanylidenecyclohexen-1-yl)-4,4a,5,8-tetrahydro-3H-isochromen-1-one Openeye Name: (3S,4aS,8aR)-8a-methyl-3-(6-oxocyclohexen-1-yl)-4,4a,5,8-tetrahydro-3H-isochromen-1-one CAS Name: (3S,4aS,8aR)-8a-methyl-3-(6-oxo-1-cyclohexenyl)-4,4a,5,8-tetrahydro-3H-2-benzopyran-1-one IUPAC Name: (3S,4aS,8aR)-8a-methyl-3-(6-oxocyclohexen-1-yl)-4,4a,5,8-tetrahydro-3H-isochromen-1-one Traditional Name: (3S,4aS,8aR)-3-(6-ketocyclohexen-1-yl)-8a-methyl-4,4a,5,8-tetrahydro-3H-isochromen-1-one Formula: C16H20O3 MolecularWeight: 260.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC=CCC1CC(OC2=O)C3=CCCCC3=O

Isomeric SMILES

C[C@@]12CC=CC[C@H]1C[C@H](OC2=O)C3=CCCCC3=O

InChI

InChI=1S/C16H20O3/c1-16-9-5-4-6-11(16)10-14(19-15(16)18)12-7-2-3-8-13(12)17/h4-5,7,11,14H,2-3,6,8-10H2,1H3/t11-,14-,16+/m0/s1