3-octadecylsulfanyl-2-phenylmethoxy-propan-1-ol

Systemtic Name: 3-octadecylsulfanyl-2-phenylmethoxy-propan-1-ol Openeye Name: 2-benzyloxy-3-octadecylsulfanyl-propan-1-ol CAS Name: 3-(octadecylthio)-2-phenylmethoxy-1-propanol IUPAC Name: 3-octadecylsulfanyl-2-phenylmethoxypropan-1-ol Traditional Name: 2-benzoxy-3-(stearylthio)propan-1-ol Formula: C28H50O2S MolecularWeight: 450.7604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(CO)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(CO)OCC1=CC=CC=C1

InChI

InChI=1S/C28H50O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-26-28(24-29)30-25-27-21-18-17-19-22-27/h17-19,21-22,28-29H,2-16,20,23-26H2,1H3