(3a,7-dimethyl-3-oxidanylidene-1,4,5,7a-tetrahydro-2-benzofuran-4-yl) ethanoate

Systemtic Name: (3a,7-dimethyl-3-oxidanylidene-1,4,5,7a-tetrahydro-2-benzofuran-4-yl) ethanoate Openeye Name: (3a,7-dimethyl-3-oxo-1,4,5,7a-tetrahydroisobenzofuran-4-yl) acetate CAS Name: acetic acid (3a,7-dimethyl-3-oxo-1,4,5,7a-tetrahydroisobenzofuran-4-yl) ester IUPAC Name: (3a,7-dimethyl-3-oxo-1,4,5,7a-tetrahydro-2-benzofuran-4-yl) acetate Traditional Name: acetic acid (3-keto-3a,7-dimethyl-1,4,5,7a-tetrahydroisobenzofuran-4-yl) ester Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C2(C1COC2=O)C)OC(=O)C

Isomeric SMILES

CC1=CCC(C2(C1COC2=O)C)OC(=O)C

InChI

InChI=1S/C12H16O4/c1-7-4-5-10(16-8(2)13)12(3)9(7)6-15-11(12)14/h4,9-10H,5-6H2,1-3H3