[(3S)-2-methyloct-1-en-3-yl] benzoate

Systemtic Name: [(3S)-2-methyloct-1-en-3-yl] benzoate Openeye Name: [(1S)-1-isopropenylhexyl] benzoate CAS Name: benzoic acid [(3S)-2-methyloct-1-en-3-yl] ester IUPAC Name: [(3S)-2-methyloct-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-amyl-2-methyl-allyl] ester Formula: C16H22O2 MolecularWeight: 246.34468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=C)C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC[C@@H](C(=C)C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22O2/c1-4-5-7-12-15(13(2)3)18-16(17)14-10-8-6-9-11-14/h6,8-11,15H,2,4-5,7,12H2,1,3H3/t15-/m0/s1