12-[4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylphenoxy]dodecanoic acid

Systemtic Name: 12-[4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylphenoxy]dodecanoic acid Openeye Name: 12-[4-(1-carboxypropylsulfanyl)phenoxy]dodecanoic acid CAS Name: 12-[4-[(1-hydroxy-1-oxobutan-2-yl)thio]phenoxy]dodecanoic acid IUPAC Name: 12-[4-(1-hydroxy-1-oxobutan-2-yl)sulfanylphenoxy]dodecanoic acid Traditional Name: 12-[4-(1-carboxypropylthio)phenoxy]lauric acid Formula: C22H34O5S MolecularWeight: 410.56736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=C(C=C1)OCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCC(C(=O)O)SC1=CC=C(C=C1)OCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H34O5S/c1-2-20(22(25)26)28-19-15-13-18(14-16-19)27-17-11-9-7-5-3-4-6-8-10-12-21(23)24/h13-16,20H,2-12,17H2,1H3,(H,23,24)(H,25,26)