1-hexadecyl-3-phenylsulfanyl-benzene

Systemtic Name: 1-hexadecyl-3-phenylsulfanyl-benzene Openeye Name: 1-hexadecyl-3-phenylsulfanyl-benzene CAS Name: 1-hexadecyl-3-(phenylthio)benzene IUPAC Name: 1-hexadecyl-3-phenylsulfanylbenzene Traditional Name: 1-cetyl-3-(phenylthio)benzene Formula: C28H42S MolecularWeight: 410.69808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C28H42S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-26-21-19-24-28(25-26)29-27-22-17-15-18-23-27/h15,17-19,21-25H,2-14,16,20H2,1H3