1,2-dioctadecoxy-3-(phenylmethylsulfanyl)propane-1,2-diol

Systemtic Name: 1,2-dioctadecoxy-3-(phenylmethylsulfanyl)propane-1,2-diol Openeye Name: 3-benzylsulfanyl-1,2-dioctadecoxy-propane-1,2-diol CAS Name: 1,2-dioctadecoxy-3-(phenylmethylthio)propane-1,2-diol IUPAC Name: 3-benzylsulfanyl-1,2-dioctadecoxypropane-1,2-diol Traditional Name: 3-(benzylthio)-1,2-distearyloxy-propane-1,2-diol Formula: C46H86O4S MolecularWeight: 735.23764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C(CSCC1=CC=CC=C1)(O)OCCCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C(CSCC1=CC=CC=C1)(O)OCCCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C46H86O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-49-45(47)46(48,43-51-42-44-38-34-33-35-39-44)50-41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39,45,47-48H,3-32,36-37,40-43H2,1-2H3