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

Systemtic Name: 2,2-bis[1-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropan-2-yl]hexanedioic acid Openeye Name: 2,2-bis[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-ethyl]hexanedioic acid CAS Name: 2,2-bis[1-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propan-2-yl]hexanedioic acid IUPAC Name: 2,2-bis[1-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-yl]hexanedioic acid Traditional Name: 2,2-bis[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-ethyl]adipic acid Formula: C40H62O6S2 MolecularWeight: 703.04668

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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(CCCC(=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(CCCC(=O)O)(C(C)CSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C40H62O6S2/c1-24(22-47-26-18-28(36(3,4)5)33(43)29(19-26)37(6,7)8)40(35(45)46,17-15-16-32(41)42)25(2)23-48-27-20-30(38(9,10)11)34(44)31(21-27)39(12,13)14/h18-21,24-25,43-44H,15-17,22-23H2,1-14H3,(H,41,42)(H,45,46)