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16-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]hexadecanoic acid

16-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]hexadecanoic acid

Systemtic Name:16-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]hexadecanoic acid
Openeye Name:16-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenoxy]hexadecanoic acid
CAS Name:16-[2-[(4-hydroxy-4-oxobutyl)thio]phenoxy]hexadecanoic acid
IUPAC Name:16-[2-(4-hydroxy-4-oxobutyl)sulfanylphenoxy]hexadecanoic acid
Traditional Name:16-[2-[(4-hydroxy-4-keto-butyl)thio]phenoxy]palmitic acid
Formula: C26H42O5S
MolecularWeight: 466.67368
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H42O5S/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)


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