[2-(1-sulfanylheptan-2-yl)phenyl] ethanoate

Systemtic Name: [2-(1-sulfanylheptan-2-yl)phenyl] ethanoate Openeye Name: [2-[1-(sulfanylmethyl)hexyl]phenyl] acetate CAS Name: acetic acid [2-(1-mercaptoheptan-2-yl)phenyl] ester IUPAC Name: [2-(1-sulfanylheptan-2-yl)phenyl] acetate Traditional Name: acetic acid [2-[1-(mercaptomethyl)hexyl]phenyl] ester Formula: C15H22O2S MolecularWeight: 266.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CS)C1=CC=CC=C1OC(=O)C

Isomeric SMILES

CCCCCC(CS)C1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C15H22O2S/c1-3-4-5-8-13(11-18)14-9-6-7-10-15(14)17-12(2)16/h6-7,9-10,13,18H,3-5,8,11H2,1-2H3