4-[(4aS,8R)-4,4a,5,6,7,8-hexahydro-3H-isochromen-8-yl]butan-2-one

Systemtic Name: 4-[(4aS,8R)-4,4a,5,6,7,8-hexahydro-3H-isochromen-8-yl]butan-2-one Openeye Name: 4-[(4aS,8R)-4,4a,5,6,7,8-hexahydro-3H-isochromen-8-yl]butan-2-one CAS Name: 4-[(4aS,8R)-4,4a,5,6,7,8-hexahydro-3H-2-benzopyran-8-yl]-2-butanone IUPAC Name: 4-[(4aS,8R)-4,4a,5,6,7,8-hexahydro-3H-isochromen-8-yl]butan-2-one Traditional Name: 4-[(4aS,8R)-4,4a,5,6,7,8-hexahydro-3H-isochromen-8-yl]butan-2-one Formula: C13H20O2 MolecularWeight: 208.2967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1CCCC2C1=COCC2

Isomeric SMILES

CC(=O)CC[C@H]1CCC[C@@H]2C1=COCC2

InChI

InChI=1S/C13H20O2/c1-10(14)5-6-11-3-2-4-12-7-8-15-9-13(11)12/h9,11-12H,2-8H2,1H3/t11-,12+/m1/s1