[(3S,4R)-3-methyl-1-oxidanylidene-octan-4-yl] benzoate

Systemtic Name: [(3S,4R)-3-methyl-1-oxidanylidene-octan-4-yl] benzoate Openeye Name: [(1R)-1-[(1S)-1-methyl-3-oxo-propyl]pentyl] benzoate CAS Name: benzoic acid [(3S,4R)-3-methyl-1-oxooctan-4-yl] ester IUPAC Name: [(3S,4R)-3-methyl-1-oxooctan-4-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S)-3-keto-1-methyl-propyl]pentyl] ester Formula: C16H22O3 MolecularWeight: 262.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-3-4-10-15(13(2)11-12-17)19-16(18)14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11H2,1-2H3/t13-,15+/m0/s1