[(E,1S)-5-methyl-1-[(1S,2R)-4-methyl-2-oxidanyl-cyclohex-3-en-1-yl]hex-2-enyl] benzoate

Systemtic Name: [(E,1S)-5-methyl-1-[(1S,2R)-4-methyl-2-oxidanyl-cyclohex-3-en-1-yl]hex-2-enyl] benzoate Openeye Name: [(E,1S)-1-[(1S,2R)-2-hydroxy-4-methyl-cyclohex-3-en-1-yl]-5-methyl-hex-2-enyl] benzoate CAS Name: benzoic acid [(E,1S)-1-[(1S,2R)-2-hydroxy-4-methyl-1-cyclohex-3-enyl]-5-methylhex-2-enyl] ester IUPAC Name: [(E,1S)-1-[(1S,2R)-2-hydroxy-4-methylcyclohex-3-en-1-yl]-5-methylhex-2-enyl] benzoate Traditional Name: benzoic acid [(E,1S)-1-[(1S,2R)-2-hydroxy-4-methyl-cyclohex-3-en-1-yl]-5-methyl-hex-2-enyl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(CC1)C(C=CCC(C)C)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-15(2)8-7-11-20(18-13-12-16(3)14-19(18)22)24-21(23)17-9-5-4-6-10-17/h4-7,9-11,14-15,18-20,22H,8,12-13H2,1-3H3/b11-7+/t18-,19+,20-/m0/s1