1,3,5-tris(tridecylsulfanyl)benzene

Systemtic Name: 1,3,5-tris(tridecylsulfanyl)benzene Openeye Name: 1,3,5-tris(tridecylsulfanyl)benzene CAS Name: 1,3,5-tris(tridecylthio)benzene IUPAC Name: 1,3,5-tris(tridecylsulfanyl)benzene Traditional Name: 1,3,5-tris(tridecylthio)benzene Formula: C45H84S3 MolecularWeight: 721.34346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=CC(=CC(=C1)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCSC1=CC(=CC(=C1)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC

InChI

InChI=1S/C45H84S3/c1-4-7-10-13-16-19-22-25-28-31-34-37-46-43-40-44(47-38-35-32-29-26-23-20-17-14-11-8-5-2)42-45(41-43)48-39-36-33-30-27-24-21-18-15-12-9-6-3/h40-42H,4-39H2,1-3H3