15-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylpentadecanoic acid

Systemtic Name: 15-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylpentadecanoic acid Openeye Name: 15-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanylpentadecanoic acid CAS Name: 15-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]pentadecanoic acid IUPAC Name: 15-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanylpentadecanoic acid Traditional Name: 15-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]pentadecanoic acid Formula: C25H40O5S MolecularWeight: 452.6471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O5S/c26-24(27)18-11-9-7-5-3-1-2-4-6-8-10-14-21-31-23-17-13-12-16-22(23)30-20-15-19-25(28)29/h12-13,16-17H,1-11,14-15,18-21H2,(H,26,27)(H,28,29)