(3R,4aS)-3-butyl-1-oxidanyl-3,4,4a,5,6,7-hexahydroisochromen-8-one

Systemtic Name: (3R,4aS)-3-butyl-1-oxidanyl-3,4,4a,5,6,7-hexahydroisochromen-8-one Openeye Name: (3R,4aS)-3-butyl-1-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-8-one CAS Name: (3R,4aS)-3-butyl-1-hydroxy-3,4,4a,5,6,7-hexahydro-2-benzopyran-8-one IUPAC Name: (3R,4aS)-3-butyl-1-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-8-one Traditional Name: (3R,4aS)-3-butyl-1-hydroxy-3,4,4a,5,6,7-hexahydroisochromen-8-one Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2CCCC(=O)C2=C(O1)O

Isomeric SMILES

CCCC[C@@H]1C[C@@H]2CCCC(=O)C2=C(O1)O

InChI

InChI=1S/C13H20O3/c1-2-3-6-10-8-9-5-4-7-11(14)12(9)13(15)16-10/h9-10,15H,2-8H2,1H3/t9-,10+/m0/s1