(6-oxidanylidene-4-phenylsulfanyl-heptyl) methanoate

Systemtic Name: (6-oxidanylidene-4-phenylsulfanyl-heptyl) methanoate Openeye Name: (6-oxo-4-phenylsulfanyl-heptyl) formate CAS Name: formic acid [6-oxo-4-(phenylthio)heptyl] ester IUPAC Name: (6-oxo-4-phenylsulfanylheptyl) formate Traditional Name: formic acid [6-keto-4-(phenylthio)heptyl] ester Formula: C14H18O3S MolecularWeight: 266.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCCOC=O)SC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(CCCOC=O)SC1=CC=CC=C1

InChI

InChI=1S/C14H18O3S/c1-12(16)10-14(8-5-9-17-11-15)18-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10H2,1H3