18-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyloctadecanoic acid

Systemtic Name: 18-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyloctadecanoic acid Openeye Name: 18-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanyloctadecanoic acid CAS Name: 18-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]octadecanoic acid IUPAC Name: 18-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanyloctadecanoic acid Traditional Name: 18-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]stearic acid Formula: C28H46O5S MolecularWeight: 494.72684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O5S/c29-27(30)21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-24-34-26-20-16-15-19-25(26)33-23-18-22-28(31)32/h15-16,19-20H,1-14,17-18,21-24H2,(H,29,30)(H,31,32)