methyl 4-(tert-butylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(tert-butylsulfanylmethyl)benzoate Openeye Name: methyl 4-(tert-butylsulfanylmethyl)benzoate CAS Name: 4-[(tert-butylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(tert-butylsulfanylmethyl)benzoate Traditional Name: 4-[(tert-butylthio)methyl]benzoic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)SCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H18O2S/c1-13(2,3)16-9-10-5-7-11(8-6-10)12(14)15-4/h5-8H,9H2,1-4H3