15-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]pentadecanoic acid

Systemtic Name: 15-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]pentadecanoic acid Openeye Name: 15-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenoxy]pentadecanoic acid CAS Name: 15-[2-[(4-hydroxy-4-oxobutyl)thio]phenoxy]pentadecanoic acid IUPAC Name: 15-[2-(4-hydroxy-4-oxobutyl)sulfanylphenoxy]pentadecanoic acid Traditional Name: 15-[2-[(4-hydroxy-4-keto-butyl)thio]phenoxy]pentadecanoic acid Formula: C25H40O5S MolecularWeight: 452.6471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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