16-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanylhexadecanoic acid

Systemtic Name: 16-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanylhexadecanoic acid Openeye Name: 16-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]sulfanylhexadecanoic acid CAS Name: 16-[[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]thio]hexadecanoic acid IUPAC Name: 16-[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]sulfanylhexadecanoic acid Traditional Name: 16-[[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]thio]palmitic acid Formula: C26H42O4S2 MolecularWeight: 482.73928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C26H42O4S2/c27-25(28)19-12-10-8-6-4-2-1-3-5-7-9-11-15-21-31-23-17-13-14-18-24(23)32-22-16-20-26(29)30/h13-14,17-18H,1-12,15-16,19-22H2,(H,27,28)(H,29,30)