2,2-bis[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropan-2-yl]decanedioic acid

Systemtic Name: 2,2-bis[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropan-2-yl]decanedioic acid Openeye Name: 2,2-bis[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-ethyl]decanedioic acid CAS Name: 2,2-bis[1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propan-2-yl]decanedioic acid IUPAC Name: 2,2-bis[1-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-yl]decanedioic acid Traditional Name: 2,2-bis[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-ethyl]sebacic acid Formula: C44H70O6S2 MolecularWeight: 759.153

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(CCCCCCCC(=O)O)(C(C)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(CSC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(CCCCCCCC(=O)O)(C(C)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C44H70O6S2/c1-28(26-51-30-22-32(40(3,4)5)37(47)33(23-30)41(6,7)8)44(39(49)50,21-19-17-15-16-18-20-36(45)46)29(2)27-52-31-24-34(42(9,10)11)38(48)35(25-31)43(12,13)14/h22-25,28-29,47-48H,15-21,26-27H2,1-14H3,(H,45,46)(H,49,50)