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

Systemtic Name: 1,3-bis(dodecylsulfanyl)propan-2-yl 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanoate Openeye Name: [2-dodecylsulfanyl-1-(dodecylsulfanylmethyl)ethyl] 2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetate CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid 1,3-bis(dodecylthio)propan-2-yl ester IUPAC Name: 1,3-bis(dodecylsulfanyl)propan-2-yl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetic acid [2-(laurylthio)-1-[(laurylthio)methyl]ethyl] ester Formula: C43H78O3S2 MolecularWeight: 707.20762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(CSCCCCCCCCCCCC)OC(=O)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCSCC(CSCCCCCCCCCCCC)OC(=O)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C43H78O3S2/c1-9-11-13-15-17-19-21-23-25-27-29-47-34-37(35-48-30-28-26-24-22-20-18-16-14-12-10-2)46-40(44)33-36-31-38(42(3,4)5)41(45)39(32-36)43(6,7)8/h31-32,37,45H,9-30,33-35H2,1-8H3