[(1S,8aS)-7-methyl-3-oxidanyl-3,5,8,8a-tetrahydro-1H-isochromen-1-yl]methyl ethanoate

Systemtic Name: [(1S,8aS)-7-methyl-3-oxidanyl-3,5,8,8a-tetrahydro-1H-isochromen-1-yl]methyl ethanoate Openeye Name: [(1S,8aS)-3-hydroxy-7-methyl-3,5,8,8a-tetrahydro-1H-isochromen-1-yl]methyl acetate CAS Name: acetic acid [(1S,8aS)-3-hydroxy-7-methyl-3,5,8,8a-tetrahydro-1H-2-benzopyran-1-yl]methyl ester IUPAC Name: [(1S,8aS)-3-hydroxy-7-methyl-3,5,8,8a-tetrahydro-1H-isochromen-1-yl]methyl acetate Traditional Name: acetic acid [(1S,8aS)-3-hydroxy-7-methyl-3,5,8,8a-tetrahydro-1H-isochromen-1-yl]methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2=CC(OC(C2C1)COC(=O)C)O

Isomeric SMILES

CC1=CCC2=CC(O[C@@H]([C@H]2C1)COC(=O)C)O

InChI

InChI=1S/C13H18O4/c1-8-3-4-10-6-13(15)17-12(11(10)5-8)7-16-9(2)14/h3,6,11-13,15H,4-5,7H2,1-2H3/t11-,12+,13?/m0/s1