phenylsulfanylmethyl 2,2-dimethylpropanoate

Systemtic Name: phenylsulfanylmethyl 2,2-dimethylpropanoate Openeye Name: phenylsulfanylmethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (phenylthio)methyl ester IUPAC Name: phenylsulfanylmethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (phenylthio)methyl ester Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)OCSC1=CC=CC=C1

InChI

InChI=1S/C12H16O2S/c1-12(2,3)11(13)14-9-15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3