22-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]-22-oxidanylidene-docosanoic acid

Systemtic Name: 22-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propoxy]-22-oxidanylidene-docosanoic acid Openeye Name: 22-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propoxy]-22-oxo-docosanoic acid CAS Name: 22-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-22-oxodocosanoic acid IUPAC Name: 22-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-22-oxodocosanoic acid Traditional Name: 22-(3-hydroxy-2-methyl-2-methylol-propoxy)-22-keto-behenic acid Formula: C27H52O6 MolecularWeight: 472.69818

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C27H52O6/c1-27(22-28,23-29)24-33-26(32)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-25(30)31/h28-29H,2-24H2,1H3,(H,30,31)