[(8R,9R)-9-phenylsulfanylhexadecan-8-yl]sulfanylbenzene

Systemtic Name: [(8R,9R)-9-phenylsulfanylhexadecan-8-yl]sulfanylbenzene Openeye Name: [(1R,2R)-1-heptyl-2-phenylsulfanyl-nonyl]sulfanylbenzene CAS Name: [[(8R,9R)-9-(phenylthio)hexadecan-8-yl]thio]benzene IUPAC Name: [(8R,9R)-9-phenylsulfanylhexadecan-8-yl]sulfanylbenzene Traditional Name: [[(1R,2R)-1-heptyl-2-(phenylthio)nonyl]thio]benzene Formula: C28H42S2 MolecularWeight: 442.76308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCCCCC)SC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCC[C@H]([C@@H](CCCCCCC)SC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C28H42S2/c1-3-5-7-9-17-23-27(29-25-19-13-11-14-20-25)28(24-18-10-8-6-4-2)30-26-21-15-12-16-22-26/h11-16,19-22,27-28H,3-10,17-18,23-24H2,1-2H3/t27-,28-/m1/s1