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

Systemtic Name: 1,2-dihexadecoxy-3-(phenylmethylsulfanyl)propane-1,2-diol Openeye Name: 3-benzylsulfanyl-1,2-dihexadecoxy-propane-1,2-diol CAS Name: 1,2-dihexadecoxy-3-(phenylmethylthio)propane-1,2-diol IUPAC Name: 3-benzylsulfanyl-1,2-dihexadecoxypropane-1,2-diol Traditional Name: 3-(benzylthio)-1,2-dicetyloxy-propane-1,2-diol Formula: C42H78O4S MolecularWeight: 679.13132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C(CSCC1=CC=CC=C1)(O)OCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C(CSCC1=CC=CC=C1)(O)OCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C42H78O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-45-41(43)42(44,39-47-38-40-34-30-29-31-35-40)46-37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,41,43-44H,3-28,32-33,36-39H2,1-2H3