4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]sulfanyl-2-methyl-butanoic acid

Systemtic Name: 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]sulfanyl-2-methyl-butanoic acid Openeye Name: 2-[1-carboxy-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-propyl]sulfanyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-butanoic acid CAS Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2-methyl-1-oxobutan-2-yl]thio]-2-methylbutanoic acid IUPAC Name: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1-hydroxy-2-methyl-1-oxobutan-2-yl]sulfanyl-2-methylbutanoic acid Traditional Name: 2-[[1-carboxy-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-methyl-propyl]thio]-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methyl-butyric acid Formula: C38H58O6S MolecularWeight: 642.92852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(C)(C(=O)O)SC(C)(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(C)(C(=O)O)SC(C)(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C38H58O6S/c1-33(2,3)25-19-23(20-26(29(25)39)34(4,5)6)15-17-37(13,31(41)42)45-38(14,32(43)44)18-16-24-21-27(35(7,8)9)30(40)28(22-24)36(10,11)12/h19-22,39-40H,15-18H2,1-14H3,(H,41,42)(H,43,44)