2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-(2-dodecylsulfanylethoxy)-3-oxidanylidene-propanoic acid

Systemtic Name: 2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-(2-dodecylsulfanylethoxy)-3-oxidanylidene-propanoic acid Openeye Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-(2-dodecylsulfanylethoxy)-3-oxo-propanoic acid CAS Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-[2-(dodecylthio)ethoxy]-3-oxopropanoic acid IUPAC Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-(2-dodecylsulfanylethoxy)-3-oxopropanoic acid Traditional Name: 2,2-bis(3,5-ditert-butyl-4-hydroxy-benzyl)-3-keto-3-[2-(laurylthio)ethoxy]propionic acid Formula: C47H76O6S MolecularWeight: 769.16774

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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)O

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)O

InChI

InChI=1S/C47H76O6S/c1-14-15-16-17-18-19-20-21-22-23-25-54-26-24-53-42(52)47(41(50)51,31-33-27-35(43(2,3)4)39(48)36(28-33)44(5,6)7)32-34-29-37(45(8,9)10)40(49)38(30-34)46(11,12)13/h27-30,48-49H,14-26,31-32H2,1-13H3,(H,50,51)