[(E,1S,7S)-1-cyclohexyl-7-oxidanyl-oct-2-enyl] benzoate

Systemtic Name: [(E,1S,7S)-1-cyclohexyl-7-oxidanyl-oct-2-enyl] benzoate Openeye Name: [(E,1S,7S)-1-cyclohexyl-7-hydroxy-oct-2-enyl] benzoate CAS Name: benzoic acid [(E,1S,7S)-1-cyclohexyl-7-hydroxyoct-2-enyl] ester IUPAC Name: [(E,1S,7S)-1-cyclohexyl-7-hydroxyoct-2-enyl] benzoate Traditional Name: benzoic acid [(E,1S,7S)-1-cyclohexyl-7-hydroxy-oct-2-enyl] ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CC(C1CCCCC1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](CCC/C=C/[C@H](C1CCCCC1)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H30O3/c1-17(22)11-5-2-10-16-20(18-12-6-3-7-13-18)24-21(23)19-14-8-4-9-15-19/h4,8-10,14-18,20,22H,2-3,5-7,11-13H2,1H3/b16-10+/t17-,20+/m0/s1