phenyl 3-sulfanylbutanoate

Systemtic Name: phenyl 3-sulfanylbutanoate Openeye Name: phenyl 3-sulfanylbutanoate CAS Name: 3-mercaptobutanoic acid phenyl ester IUPAC Name: phenyl 3-sulfanylbutanoate Traditional Name: 3-mercaptobutyric acid phenyl ester Formula: C10H12O2S MolecularWeight: 196.26608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=CC=CC=C1)S

Isomeric SMILES

CC(CC(=O)OC1=CC=CC=C1)S

InChI

InChI=1S/C10H12O2S/c1-8(13)7-10(11)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3