1,3-bis(butylsulfanyl)propan-2-yl benzoate

Systemtic Name: 1,3-bis(butylsulfanyl)propan-2-yl benzoate Openeye Name: [2-butylsulfanyl-1-(butylsulfanylmethyl)ethyl] benzoate CAS Name: benzoic acid 1,3-bis(butylthio)propan-2-yl ester IUPAC Name: 1,3-bis(butylsulfanyl)propan-2-yl benzoate Traditional Name: benzoic acid [2-(butylthio)-1-[(butylthio)methyl]ethyl] ester Formula: C18H28O2S2 MolecularWeight: 340.54372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CSCCCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCSCC(CSCCCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H28O2S2/c1-3-5-12-21-14-17(15-22-13-6-4-2)20-18(19)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3