bis(2-dodecylsulfanylethyl) 2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]propanedioate

Systemtic Name: bis(2-dodecylsulfanylethyl) 2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]propanedioate Openeye Name: bis(2-dodecylsulfanylethyl) 2,2-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]propanedioate CAS Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioic acid bis[2-(dodecylthio)ethyl] ester IUPAC Name: bis(2-dodecylsulfanylethyl) 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate Traditional Name: 2,2-bis(3,5-ditert-butyl-4-hydroxy-benzyl)malonic acid bis[2-(laurylthio)ethyl] ester Formula: C61H104O6S2 MolecularWeight: 997.60486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OCCSCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OCCSCCCCCCCCCCCC

InChI

InChI=1S/C61H104O6S2/c1-15-17-19-21-23-25-27-29-31-33-37-68-39-35-66-55(64)61(45-47-41-49(57(3,4)5)53(62)50(42-47)58(6,7)8,46-48-43-51(59(9,10)11)54(63)52(44-48)60(12,13)14)56(65)67-36-40-69-38-34-32-30-28-26-24-22-20-18-16-2/h41-44,62-63H,15-40,45-46H2,1-14H3