[(1S,2R)-2-[(1S)-1-oxidanylbut-3-enyl]-2-phenyl-cyclohexyl] benzoate

Systemtic Name: [(1S,2R)-2-[(1S)-1-oxidanylbut-3-enyl]-2-phenyl-cyclohexyl] benzoate Openeye Name: [(1S,2R)-2-[(1S)-1-hydroxybut-3-enyl]-2-phenyl-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R)-2-[(1S)-1-hydroxybut-3-enyl]-2-phenylcyclohexyl] ester IUPAC Name: [(1S,2R)-2-[(1S)-1-hydroxybut-3-enyl]-2-phenylcyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R)-2-[(1S)-1-hydroxybut-3-enyl]-2-phenyl-cyclohexyl] ester Formula: C23H26O3 MolecularWeight: 350.45074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1(CCCCC1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

C=CC[C@@H]([C@@]1(CCCC[C@@H]1OC(=O)C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H26O3/c1-2-11-20(24)23(19-14-7-4-8-15-19)17-10-9-16-21(23)26-22(25)18-12-5-3-6-13-18/h2-8,12-15,20-21,24H,1,9-11,16-17H2/t20-,21-,23+/m0/s1