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18-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]octadecanoic acid

18-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]octadecanoic acid

Systemtic Name:18-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenoxy]octadecanoic acid
Openeye Name:18-[2-(4-hydroxy-4-oxo-butoxy)phenoxy]octadecanoic acid
CAS Name:18-[2-(4-hydroxy-4-oxobutoxy)phenoxy]octadecanoic acid
IUPAC Name:18-[2-(4-hydroxy-4-oxobutoxy)phenoxy]octadecanoic acid
Traditional Name:18-[2-(4-hydroxy-4-keto-butoxy)phenoxy]stearic acid
Formula: C28H46O6
MolecularWeight: 478.66124
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCCCCCCCCCCCCCCC(=O)O)OCCCC(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)OCCCCCCCCCCCCCCCCCC(=O)O)OCCCC(=O)O


InChI

InChI=1S/C28H46O6/c29-27(30)21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-23-33-25-19-15-16-20-26(25)34-24-18-22-28(31)32/h15-16,19-20H,1-14,17-18,21-24H2,(H,29,30)(H,31,32)


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