hexyl 2-sulfanylbenzoate

Systemtic Name: hexyl 2-sulfanylbenzoate Openeye Name: hexyl 2-sulfanylbenzoate CAS Name: 2-mercaptobenzoic acid hexyl ester IUPAC Name: hexyl 2-sulfanylbenzoate Traditional Name: 2-mercaptobenzoic acid hexyl ester Formula: C13H18O2S MolecularWeight: 238.34582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1S

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1S

InChI

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