methylbenzene; (phenylmethyl) 2-sulfanylethanoate

Systemtic Name: methylbenzene; (phenylmethyl) 2-sulfanylethanoate Openeye Name: benzyl 2-sulfanylacetate; toluene CAS Name: 2-mercaptoacetic acid (phenylmethyl) ester; toluene IUPAC Name: benzyl 2-sulfanylacetate; toluene Traditional Name: 2-mercaptoacetic acid benzyl ester; toluene Formula: C16H18O2S MolecularWeight: 274.37792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=C(C=C1)COC(=O)CS

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=C(C=C1)COC(=O)CS

InChI

InChI=1S/C9H10O2S.C7H8/c10-9(7-12)11-6-8-4-2-1-3-5-8;1-7-5-3-2-4-6-7/h1-5,12H,6-7H2;2-6H,1H3