3-methyl-16-[2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxyphenoxy]hexadecanoic acid

Systemtic Name: 3-methyl-16-[2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)oxyphenoxy]hexadecanoic acid Openeye Name: 16-[2-(3-hydroxy-1-methyl-3-oxo-propoxy)phenoxy]-3-methyl-hexadecanoic acid CAS Name: 16-[2-(4-hydroxy-4-oxobutan-2-yl)oxyphenoxy]-3-methylhexadecanoic acid IUPAC Name: 16-[2-(4-hydroxy-4-oxobutan-2-yl)oxyphenoxy]-3-methylhexadecanoic acid Traditional Name: 16-[2-(3-hydroxy-3-keto-1-methyl-propoxy)phenoxy]-3-methyl-palmitic acid Formula: C27H44O6 MolecularWeight: 464.63466

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCCOC1=CC=CC=C1OC(C)CC(=O)O)CC(=O)O

Isomeric SMILES

CC(CCCCCCCCCCCCCOC1=CC=CC=C1OC(C)CC(=O)O)CC(=O)O

InChI

InChI=1S/C27H44O6/c1-22(20-26(28)29)16-12-10-8-6-4-3-5-7-9-11-15-19-32-24-17-13-14-18-25(24)33-23(2)21-27(30)31/h13-14,17-18,22-23H,3-12,15-16,19-21H2,1-2H3,(H,28,29)(H,30,31)