3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-oxidanyl-5-oxidanylidene-pentyl]sulfanyl-pentanoic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5-oxidanyl-5-oxidanylidene-pentyl]sulfanyl-pentanoic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-hydroxy-5-oxo-pentyl]sulfanyl-pentanoic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-5-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-5-hydroxy-5-oxopentyl]thio]pentanoic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-5-hydroxy-5-oxopentyl]sulfanylpentanoic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-5-hydroxy-5-keto-pentyl]thio]valeric acid Formula: C38H58O6S MolecularWeight: 642.92852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CCSCCC(CC(=O)O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CCSCCC(CC(=O)O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC(=O)O

InChI

InChI=1S/C38H58O6S/c1-35(2,3)27-17-25(18-28(33(27)43)36(4,5)6)23(21-31(39)40)13-15-45-16-14-24(22-32(41)42)26-19-29(37(7,8)9)34(44)30(20-26)38(10,11)12/h17-20,23-24,43-44H,13-16,21-22H2,1-12H3,(H,39,40)(H,41,42)