[(E)-3-methyl-7-methylidene-9-[(5S)-2,6,6-trimethyl-5-oxidanyl-cyclohexen-1-yl]non-2-enyl] benzoate

Systemtic Name: [(E)-3-methyl-7-methylidene-9-[(5S)-2,6,6-trimethyl-5-oxidanyl-cyclohexen-1-yl]non-2-enyl] benzoate Openeye Name: [(E)-9-[(5S)-5-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3-methyl-7-methylene-non-2-enyl] benzoate CAS Name: benzoic acid [(E)-9-[(5S)-5-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3-methyl-7-methylenenon-2-enyl] ester IUPAC Name: [(E)-9-[(5S)-5-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3-methyl-7-methylidenenon-2-enyl] benzoate Traditional Name: benzoic acid [(2E)-7-[2-[(5S)-5-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]ethyl]-3-methyl-octa-2,7-dienyl] ester Formula: C27H38O3 MolecularWeight: 410.58882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1)O)(C)C)CCC(=C)CCCC(=CCOC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C([C@H](CC1)O)(C)C)CCC(=C)CCC/C(=C/COC(=O)C2=CC=CC=C2)/C

InChI

InChI=1S/C27H38O3/c1-20(14-16-24-22(3)15-17-25(28)27(24,4)5)10-9-11-21(2)18-19-30-26(29)23-12-7-6-8-13-23/h6-8,12-13,18,25,28H,1,9-11,14-17,19H2,2-5H3/b21-18+/t25-/m0/s1