[(6R,7aS)-4,4,7a-trimethyl-2-oxidanylidene-6,7-dihydro-5H-1-benzofuran-6-yl] ethanoate

Systemtic Name: [(6R,7aS)-4,4,7a-trimethyl-2-oxidanylidene-6,7-dihydro-5H-1-benzofuran-6-yl] ethanoate Openeye Name: [(6R,7aS)-4,4,7a-trimethyl-2-oxo-6,7-dihydro-5H-benzofuran-6-yl] acetate CAS Name: acetic acid [(6R,7aS)-4,4,7a-trimethyl-2-oxo-6,7-dihydro-5H-benzofuran-6-yl] ester IUPAC Name: [(6R,7aS)-4,4,7a-trimethyl-2-oxo-6,7-dihydro-5H-1-benzofuran-6-yl] acetate Traditional Name: acetic acid [(6R,7aS)-2-keto-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-6-yl] ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C2=CC(=O)OC2(C1)C)(C)C

Isomeric SMILES

CC(=O)O[C@H]1C[C@]2(C(=CC(=O)O2)C(C1)(C)C)C

InChI

InChI=1S/C13H18O4/c1-8(14)16-9-6-12(2,3)10-5-11(15)17-13(10,4)7-9/h5,9H,6-7H2,1-4H3/t9-,13+/m1/s1