(7R,8S,8aS)-7-methyl-7,8-bis(oxidanyl)-3-propyl-8,8a-dihydro-1H-isochromen-6-one

Systemtic Name: (7R,8S,8aS)-7-methyl-7,8-bis(oxidanyl)-3-propyl-8,8a-dihydro-1H-isochromen-6-one Openeye Name: (7R,8S,8aS)-7,8-dihydroxy-7-methyl-3-propyl-8,8a-dihydro-1H-isochromen-6-one CAS Name: (7R,8S,8aS)-7,8-dihydroxy-7-methyl-3-propyl-8,8a-dihydro-1H-2-benzopyran-6-one IUPAC Name: (7R,8S,8aS)-7,8-dihydroxy-7-methyl-3-propyl-8,8a-dihydro-1H-isochromen-6-one Traditional Name: (7R,8S,8aS)-7,8-dihydroxy-7-methyl-3-propyl-8,8a-dihydro-1H-isochromen-6-one Formula: C13H18O4 MolecularWeight: 238.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=CC(=O)C(C(C2CO1)O)(C)O

Isomeric SMILES

CCCC1=CC2=CC(=O)[C@]([C@H]([C@@H]2CO1)O)(C)O

InChI

InChI=1S/C13H18O4/c1-3-4-9-5-8-6-11(14)13(2,16)12(15)10(8)7-17-9/h5-6,10,12,15-16H,3-4,7H2,1-2H3/t10-,12+,13+/m1/s1