ethyl 3,3-bis(phenylsulfanyl)butanoate

Systemtic Name: ethyl 3,3-bis(phenylsulfanyl)butanoate Openeye Name: ethyl 3,3-bis(phenylsulfanyl)butanoate CAS Name: 3,3-bis(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3,3-bis(phenylsulfanyl)butanoate Traditional Name: 3,3-bis(phenylthio)butyric acid ethyl ester Formula: C18H20O2S2 MolecularWeight: 332.4802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(SC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(C)(SC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C18H20O2S2/c1-3-20-17(19)14-18(2,21-15-10-6-4-7-11-15)22-16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3