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

Systemtic Name: (1-dodecylsulfanyl-3-octadecoxy-propan-2-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [1-(dodecylsulfanylmethyl)-2-octadecoxy-ethyl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [1-(dodecylthio)-3-octadecoxypropan-2-yl] ester IUPAC Name: (1-dodecylsulfanyl-3-octadecoxypropan-2-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid [1-[(laurylthio)methyl]-2-stearyloxy-ethyl] ester Formula: C50H92O4S MolecularWeight: 789.32808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C50H92O4S/c1-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-37-53-41-44(42-55-38-34-32-30-28-20-18-16-14-12-10-2)54-47(51)36-35-43-39-45(49(3,4)5)48(52)46(40-43)50(6,7)8/h39-40,44,52H,9-38,41-42H2,1-8H3