12-[2-(5-oxidanyl-5-oxidanylidene-pentan-2-yl)oxyphenoxy]dodecanoic acid

Systemtic Name: 12-[2-(5-oxidanyl-5-oxidanylidene-pentan-2-yl)oxyphenoxy]dodecanoic acid Openeye Name: 12-[2-(4-hydroxy-1-methyl-4-oxo-butoxy)phenoxy]dodecanoic acid CAS Name: 12-[2-(5-hydroxy-5-oxopentan-2-yl)oxyphenoxy]dodecanoic acid IUPAC Name: 12-[2-(5-hydroxy-5-oxopentan-2-yl)oxyphenoxy]dodecanoic acid Traditional Name: 12-[2-(4-hydroxy-4-keto-1-methyl-butoxy)phenoxy]lauric acid Formula: C23H36O6 MolecularWeight: 408.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)OC1=CC=CC=C1OCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC(CCC(=O)O)OC1=CC=CC=C1OCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H36O6/c1-19(16-17-23(26)27)29-21-14-11-10-13-20(21)28-18-12-8-6-4-2-3-5-7-9-15-22(24)25/h10-11,13-14,19H,2-9,12,15-18H2,1H3,(H,24,25)(H,26,27)