(7S,8S)-2-methyl-7-phenylsulfanyl-octadecan-8-ol

Systemtic Name: (7S,8S)-2-methyl-7-phenylsulfanyl-octadecan-8-ol Openeye Name: (7S,8S)-2-methyl-7-phenylsulfanyl-octadecan-8-ol CAS Name: (7S,8S)-2-methyl-7-(phenylthio)-8-octadecanol IUPAC Name: (7S,8S)-2-methyl-7-phenylsulfanyloctadecan-8-ol Traditional Name: (7S,8S)-2-methyl-7-(phenylthio)octadecan-8-ol Formula: C25H44OS MolecularWeight: 392.68126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCCCC(C)C)SC1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCC[C@@H]([C@H](CCCCC(C)C)SC1=CC=CC=C1)O

InChI

InChI=1S/C25H44OS/c1-4-5-6-7-8-9-10-14-20-24(26)25(21-16-15-17-22(2)3)27-23-18-12-11-13-19-23/h11-13,18-19,22,24-26H,4-10,14-17,20-21H2,1-3H3/t24-,25-/m0/s1