12-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]dodecanoic acid

Systemtic Name: 12-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]dodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenoxy]dodecanoic acid CAS Name: 12-[2-[(4-hydroxy-4-oxobutyl)thio]phenoxy]dodecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutyl)sulfanylphenoxy]dodecanoic acid Traditional Name: 12-[2-[(4-hydroxy-4-keto-butyl)thio]phenoxy]lauric acid Formula: C22H34O5S MolecularWeight: 410.56736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O5S/c23-21(24)15-8-6-4-2-1-3-5-7-11-17-27-19-13-9-10-14-20(19)28-18-12-16-22(25)26/h9-10,13-14H,1-8,11-12,15-18H2,(H,23,24)(H,25,26)