[2-(1-sulfanylbutyl)phenyl] ethanoate

Systemtic Name: [2-(1-sulfanylbutyl)phenyl] ethanoate Openeye Name: [2-(1-sulfanylbutyl)phenyl] acetate CAS Name: acetic acid [2-(1-mercaptobutyl)phenyl] ester IUPAC Name: [2-(1-sulfanylbutyl)phenyl] acetate Traditional Name: acetic acid [2-(1-mercaptobutyl)phenyl] ester Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1OC(=O)C)S

Isomeric SMILES

CCCC(C1=CC=CC=C1OC(=O)C)S

InChI

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