[(1R,3aR,4R,7aR)-1-methyl-3-oxidanylidene-3a-(2-oxidanylidenepropyl)-1,4,7,7a-tetrahydro-2-benzofuran-4-yl] ethanoate

Systemtic Name: [(1R,3aR,4R,7aR)-1-methyl-3-oxidanylidene-3a-(2-oxidanylidenepropyl)-1,4,7,7a-tetrahydro-2-benzofuran-4-yl] ethanoate Openeye Name: [(1R,3aR,4R,7aR)-3a-acetonyl-1-methyl-3-oxo-1,4,7,7a-tetrahydroisobenzofuran-4-yl] acetate CAS Name: acetic acid [(1R,3aR,4R,7aR)-1-methyl-3-oxo-3a-(2-oxopropyl)-1,4,7,7a-tetrahydroisobenzofuran-4-yl] ester IUPAC Name: [(1R,3aR,4R,7aR)-1-methyl-3-oxo-3a-(2-oxopropyl)-1,4,7,7a-tetrahydro-2-benzofuran-4-yl] acetate Traditional Name: acetic acid [(1R,3aR,4R,7aR)-3a-acetonyl-3-keto-1-methyl-1,4,7,7a-tetrahydroisobenzofuran-4-yl] ester Formula: C14H18O5 MolecularWeight: 266.28972

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC=CC(C2(C(=O)O1)CC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H]1[C@@H]2CC=C[C@H]([C@@]2(C(=O)O1)CC(=O)C)OC(=O)C

InChI

InChI=1S/C14H18O5/c1-8(15)7-14-11(9(2)18-13(14)17)5-4-6-12(14)19-10(3)16/h4,6,9,11-12H,5,7H2,1-3H3/t9-,11+,12-,14-/m1/s1