6,6-bis(dodecylsulfanyl)hexyl benzoate

Systemtic Name: 6,6-bis(dodecylsulfanyl)hexyl benzoate Openeye Name: 6,6-bis(dodecylsulfanyl)hexyl benzoate CAS Name: benzoic acid 6,6-bis(dodecylthio)hexyl ester IUPAC Name: 6,6-bis(dodecylsulfanyl)hexyl benzoate Traditional Name: benzoic acid 6,6-bis(laurylthio)hexyl ester Formula: C37H66O2S2 MolecularWeight: 607.04874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(CCCCCOC(=O)C1=CC=CC=C1)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC(CCCCCOC(=O)C1=CC=CC=C1)SCCCCCCCCCCCC

InChI

InChI=1S/C37H66O2S2/c1-3-5-7-9-11-13-15-17-19-27-33-40-36(41-34-28-20-18-16-14-12-10-8-6-4-2)31-25-22-26-32-39-37(38)35-29-23-21-24-30-35/h21,23-24,29-30,36H,3-20,22,25-28,31-34H2,1-2H3