(1-hexadecoxy-3-octadecylsulfanyl-propan-2-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (1-hexadecoxy-3-octadecylsulfanyl-propan-2-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [1-(hexadecoxymethyl)-2-octadecylsulfanyl-ethyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [1-hexadecoxy-3-(octadecylthio)propan-2-yl] ester IUPAC Name: (1-hexadecoxy-3-octadecylsulfanylpropan-2-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid [1-(cetyloxymethyl)-2-(stearylthio)ethyl] ester Formula: C54H100O4S MolecularWeight: 845.4344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COCCCCCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COCCCCCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C54H100O4S/c1-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-42-59-46-48(45-57-41-37-35-33-31-29-27-24-22-20-18-16-14-12-10-2)58-51(55)40-39-47-43-49(53(3,4)5)52(56)50(44-47)54(6,7)8/h43-44,48,56H,9-42,45-46H2,1-8H3