2-[2-(dioxidanyl)-1-docosanoyloxy-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[2-(dioxidanyl)-1-docosanoyloxy-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-(1-docosanoyloxy-2-hydroperoxy-2-oxo-ethyl)-2-hydroxy-butanedioic acid CAS Name: 2-[2-hydroperoxy-2-oxo-1-(1-oxodocosoxy)ethyl]-2-hydroxybutanedioic acid IUPAC Name: 2-(1-docosanoyloxy-2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid Traditional Name: 2-(1-docosanoyloxy-2-hydroperoxy-2-keto-ethyl)-2-hydroxy-succinic acid Formula: C28H50O10 MolecularWeight: 546.6906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C(=O)OO)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C(=O)OO)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C28H50O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(31)37-25(26(32)38-36)28(35,27(33)34)22-23(29)30/h25,35-36H,2-22H2,1H3,(H,29,30)(H,33,34)