(1-octadecoxy-3-octadecylsulfanyl-propan-2-yl) 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: (1-octadecoxy-3-octadecylsulfanyl-propan-2-yl) 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [1-(octadecoxymethyl)-2-octadecylsulfanyl-ethyl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid [1-octadecoxy-3-(octadecylthio)propan-2-yl] ester IUPAC Name: (1-octadecoxy-3-octadecylsulfanylpropan-2-yl) 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid [1-(stearyloxymethyl)-2-(stearylthio)ethyl] ester Formula: C54H100O4S MolecularWeight: 845.4344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCCCCCCCC)OC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCCCCCCCC)OC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

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