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

Systemtic Name: [4-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-2-oxidanylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate Openeye Name: [4-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate CAS Name: benzoic acid [4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester IUPAC Name: [4-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate Traditional Name: benzoic acid [4-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-2-keto-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester Formula: C23H26O5 MolecularWeight: 382.44954

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)C(C=CC1C(CC2C1CC(=O)O2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26O5/c1-3-4-8-15(2)19(24)12-11-17-18-13-22(25)27-21(18)14-20(17)28-23(26)16-9-6-5-7-10-16/h5-7,9-12,15,17-21,24H,8,13-14H2,1-2H3/b12-11+