[(E,2R,3R)-3-methyl-2-oxidanyl-hept-5-enyl] benzoate

Systemtic Name: [(E,2R,3R)-3-methyl-2-oxidanyl-hept-5-enyl] benzoate Openeye Name: [(E,2R,3R)-2-hydroxy-3-methyl-hept-5-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R)-2-hydroxy-3-methylhept-5-enyl] ester IUPAC Name: [(E,2R,3R)-2-hydroxy-3-methylhept-5-enyl] benzoate Traditional Name: benzoic acid [(E,2R,3R)-2-hydroxy-3-methyl-hept-5-enyl] ester Formula: C15H20O3 MolecularWeight: 248.3175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C)C(COC(=O)C1=CC=CC=C1)O

Isomeric SMILES

C/C=C/C[C@@H](C)[C@H](COC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C15H20O3/c1-3-4-8-12(2)14(16)11-18-15(17)13-9-6-5-7-10-13/h3-7,9-10,12,14,16H,8,11H2,1-2H3/b4-3+/t12-,14+/m1/s1