methyl 2-methanoyl-2-phenylsulfanyl-octanoate

Systemtic Name: methyl 2-methanoyl-2-phenylsulfanyl-octanoate Openeye Name: methyl 2-formyl-2-phenylsulfanyl-octanoate CAS Name: 2-formyl-2-(phenylthio)octanoic acid methyl ester IUPAC Name: methyl 2-formyl-2-phenylsulfanyloctanoate Traditional Name: 2-formyl-2-(phenylthio)caprylic acid methyl ester Formula: C16H22O3S MolecularWeight: 294.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=O)(C(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C=O)(C(=O)OC)SC1=CC=CC=C1

InChI

InChI=1S/C16H22O3S/c1-3-4-5-9-12-16(13-17,15(18)19-2)20-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3