5-methyl-7a-(phenylmethyl)-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one

Systemtic Name: 5-methyl-7a-(phenylmethyl)-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one Openeye Name: 7a-benzyl-5-methyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one CAS Name: 5-methyl-7a-(phenylmethyl)-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one IUPAC Name: 7a-benzyl-5-methyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one Traditional Name: 7a-benzyl-5-methyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one Formula: C16H20O2 MolecularWeight: 244.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C1)COC2=O)CC3=CC=CC=C3

Isomeric SMILES

CC1CCC2(C(C1)COC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H20O2/c1-12-7-8-16(10-13-5-3-2-4-6-13)14(9-12)11-18-15(16)17/h2-6,12,14H,7-11H2,1H3