[(1R)-7-ethanoyl-3-oxidanylidene-6-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-1-yl] ethanoate

Systemtic Name: [(1R)-7-ethanoyl-3-oxidanylidene-6-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-1-yl] ethanoate Openeye Name: [(1R)-7-acetyl-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1H-isobenzofuran-1-yl] acetate CAS Name: acetic acid [(1R)-7-acetyl-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1H-isobenzofuran-1-yl] ester IUPAC Name: [(1R)-7-acetyl-3-oxo-6-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-1-yl] acetate Traditional Name: acetic acid [(1R)-7-acetyl-3-keto-6-[(1S)-1,3,3-trimethylcyclohexyl]phthalan-1-yl] ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC2=C1C(OC2=O)OC(=O)C)C3(CCCC(C3)(C)C)C

Isomeric SMILES

CC(=O)C1=C(C=CC2=C1[C@@H](OC2=O)OC(=O)C)[C@]3(CCCC(C3)(C)C)C

InChI

InChI=1S/C21H26O5/c1-12(22)16-15(21(5)10-6-9-20(3,4)11-21)8-7-14-17(16)19(25-13(2)23)26-18(14)24/h7-8,19H,6,9-11H2,1-5H3/t19-,21+/m1/s1