methyl 4-[(2S)-2-methyl-3-oxidanyl-propyl]benzoate

Systemtic Name: methyl 4-[(2S)-2-methyl-3-oxidanyl-propyl]benzoate Openeye Name: methyl 4-[(2S)-3-hydroxy-2-methyl-propyl]benzoate CAS Name: 4-[(2S)-3-hydroxy-2-methylpropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-hydroxy-2-methylpropyl]benzoate Traditional Name: 4-[(2S)-3-hydroxy-2-methyl-propyl]benzoic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)CO

Isomeric SMILES

C[C@@H](CC1=CC=C(C=C1)C(=O)OC)CO

InChI

InChI=1S/C12H16O3/c1-9(8-13)7-10-3-5-11(6-4-10)12(14)15-2/h3-6,9,13H,7-8H2,1-2H3/t9-/m0/s1