2-methyl-5-(4-methyl-4-octylsulfanyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanyl-2-octylsulfanyl-pentanoic acid

Systemtic Name: 2-methyl-5-(4-methyl-4-octylsulfanyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanyl-2-octylsulfanyl-pentanoic acid Openeye Name: 5-(5-hydroxy-4-methyl-4-octylsulfanyl-5-oxo-pentyl)sulfanyl-2-methyl-2-octylsulfanyl-pentanoic acid CAS Name: 5-[[5-hydroxy-4-methyl-4-(octylthio)-5-oxopentyl]thio]-2-methyl-2-(octylthio)pentanoic acid IUPAC Name: 5-(5-hydroxy-4-methyl-4-octylsulfanyl-5-oxopentyl)sulfanyl-2-methyl-2-octylsulfanylpentanoic acid Traditional Name: 5-[[5-hydroxy-5-keto-4-methyl-4-(octylthio)pentyl]thio]-2-methyl-2-(octylthio)valeric acid Formula: C28H54O4S3 MolecularWeight: 550.92096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(C)(CCCSCCCC(C)(C(=O)O)SCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCSC(C)(CCCSCCCC(C)(C(=O)O)SCCCCCCCC)C(=O)O

InChI

InChI=1S/C28H54O4S3/c1-5-7-9-11-13-15-23-34-27(3,25(29)30)19-17-21-33-22-18-20-28(4,26(31)32)35-24-16-14-12-10-8-6-2/h5-24H2,1-4H3,(H,29,30)(H,31,32)