2-(hexadecylsulfanylmethyl)-3-phenyl-propan-1-ol

Systemtic Name: 2-(hexadecylsulfanylmethyl)-3-phenyl-propan-1-ol Openeye Name: 2-benzyl-3-hexadecylsulfanyl-propan-1-ol CAS Name: 2-[(hexadecylthio)methyl]-3-phenyl-1-propanol IUPAC Name: 2-benzyl-3-hexadecylsulfanylpropan-1-ol Traditional Name: 2-benzyl-3-(cetylthio)propan-1-ol Formula: C26H46OS MolecularWeight: 406.70784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CC1=CC=CC=C1)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CC1=CC=CC=C1)CO

InChI

InChI=1S/C26H46OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-24-26(23-27)22-25-19-16-15-17-20-25/h15-17,19-20,26-27H,2-14,18,21-24H2,1H3