[(2S)-2-methylbutyl] 4-methylbenzoate

Systemtic Name: [(2S)-2-methylbutyl] 4-methylbenzoate Openeye Name: [(2S)-2-methylbutyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2S)-2-methylbutyl] ester Formula: C13H18O2 MolecularWeight: 206.28082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-4-10(2)9-15-13(14)12-7-5-11(3)6-8-12/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1