[4-[(2S)-2-methyloctoxy]phenyl] benzoate

Systemtic Name: [4-[(2S)-2-methyloctoxy]phenyl] benzoate Openeye Name: [4-[(2S)-2-methyloctoxy]phenyl] benzoate CAS Name: benzoic acid [4-[(2S)-2-methyloctoxy]phenyl] ester IUPAC Name: [4-[(2S)-2-methyloctoxy]phenyl] benzoate Traditional Name: benzoic acid [4-[(2S)-2-methyloctoxy]phenyl] ester Formula: C22H28O3 MolecularWeight: 340.45592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)COC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@H](C)COC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28O3/c1-3-4-5-7-10-18(2)17-24-20-13-15-21(16-14-20)25-22(23)19-11-8-6-9-12-19/h6,8-9,11-16,18H,3-5,7,10,17H2,1-2H3/t18-/m0/s1