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

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

Systemtic Name:12-[2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylphenoxy]dodecanoic acid
Openeye Name:12-[2-(3-hydroxy-1-methyl-3-oxo-propyl)sulfanylphenoxy]dodecanoic acid
CAS Name:12-[2-[(4-hydroxy-4-oxobutan-2-yl)thio]phenoxy]dodecanoic acid
IUPAC Name:12-[2-(4-hydroxy-4-oxobutan-2-yl)sulfanylphenoxy]dodecanoic acid
Traditional Name:12-[2-[(3-hydroxy-3-keto-1-methyl-propyl)thio]phenoxy]lauric acid
Formula: C22H34O5S
MolecularWeight: 410.56736
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC=CC=C1OCCCCCCCCCCCC(=O)O


Isomeric SMILES

CC(CC(=O)O)SC1=CC=CC=C1OCCCCCCCCCCCC(=O)O


InChI

InChI=1S/C22H34O5S/c1-18(17-22(25)26)28-20-14-11-10-13-19(20)27-16-12-8-6-4-2-3-5-7-9-15-21(23)24/h10-11,13-14,18H,2-9,12,15-17H2,1H3,(H,23,24)(H,25,26)


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