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

Systemtic Name: 1,3-bis(octadecylsulfanyl)propan-2-yl 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoate Openeye Name: [2-octadecylsulfanyl-1-(octadecylsulfanylmethyl)ethyl] 2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetate CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid 1,3-bis(octadecylthio)propan-2-yl ester IUPAC Name: 1,3-bis(octadecylsulfanyl)propan-2-yl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetic acid [2-(stearylthio)-1-[(stearylthio)methyl]ethyl] ester Formula: C55H102O3S2 MolecularWeight: 875.52658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(CSCCCCCCCCCCCCCCCCCC)OC(=O)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(CSCCCCCCCCCCCCCCCCCC)OC(=O)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C55H102O3S2/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-59-46-49(47-60-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)58-52(56)45-48-43-50(54(3,4)5)53(57)51(44-48)55(6,7)8/h43-44,49,57H,9-42,45-47H2,1-8H3