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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1O)CCCC)CCC(C)(C(=O)O)SC(C)(CCC2=CC(=C(C(=C2)CCCC)O)CCCC)C(=O)O

Isomeric SMILES

CCCCC1=CC(=CC(=C1O)CCCC)CCC(C)(C(=O)O)SC(C)(CCC2=CC(=C(C(=C2)CCCC)O)CCCC)C(=O)O

InChI

InChI=1S/C38H58O6S/c1-7-11-15-29-23-27(24-30(33(29)39)16-12-8-2)19-21-37(5,35(41)42)45-38(6,36(43)44)22-20-28-25-31(17-13-9-3)34(40)32(26-28)18-14-10-4/h23-26,39-40H,7-22H2,1-6H3,(H,41,42)(H,43,44)