13-[2-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanylphenoxy]tridecanoic acid

Systemtic Name: 13-[2-(6-oxidanyl-6-oxidanylidene-hexyl)sulfanylphenoxy]tridecanoic acid Openeye Name: 13-[2-(6-hydroxy-6-oxo-hexyl)sulfanylphenoxy]tridecanoic acid CAS Name: 13-[2-[(6-hydroxy-6-oxohexyl)thio]phenoxy]tridecanoic acid IUPAC Name: 13-[2-(6-hydroxy-6-oxohexyl)sulfanylphenoxy]tridecanoic acid Traditional Name: 13-[2-[(6-hydroxy-6-keto-hexyl)thio]phenoxy]tridecanoic acid Formula: C25H40O5S MolecularWeight: 452.6471

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCCCCCCCCCC(=O)O)SCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCCCCCCCCCC(=O)O)SCCCCCC(=O)O

InChI

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