[4-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-2-oxidanylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate

Systemtic Name: [4-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-2-oxidanylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate Openeye Name: [4-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate CAS Name: benzoic acid [4-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester IUPAC Name: [4-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate Traditional Name: benzoic acid [4-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-2-keto-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester Formula: C24H32O5 MolecularWeight: 400.50788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1C(CC2C1CC(=O)O2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1C(CC2C1CC(=O)O2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H32O5/c1-4-5-13-24(2,3)21(25)12-11-17-18-14-22(26)28-20(18)15-19(17)29-23(27)16-9-7-6-8-10-16/h6-12,17-21,25H,4-5,13-15H2,1-3H3/b12-11+