16-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylhexadecanoic acid

Systemtic Name: 16-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylhexadecanoic acid Openeye Name: 16-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanylhexadecanoic acid CAS Name: 16-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]hexadecanoic acid IUPAC Name: 16-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanylhexadecanoic acid Traditional Name: 16-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]palmitic acid Formula: C26H42O5S MolecularWeight: 466.67368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O5S/c27-25(28)19-12-10-8-6-4-2-1-3-5-7-9-11-15-22-32-24-18-14-13-17-23(24)31-21-16-20-26(29)30/h13-14,17-18H,1-12,15-16,19-22H2,(H,27,28)(H,29,30)