2-(2-ethanoylperoxy-2-oxidanylidene-ethyl)-2-oxidanyl-butanedioate phosphate

Systemtic Name: 2-(2-ethanoylperoxy-2-oxidanylidene-ethyl)-2-oxidanyl-butanedioate phosphate Openeye Name: 2-(2-acetylperoxy-2-oxo-ethyl)-2-hydroxy-butanedioate phosphate CAS Name: 2-(2-acetyldioxy-2-oxoethyl)-2-hydroxybutanedioate phosphate IUPAC Name: 2-(2-acetylperoxy-2-oxoethyl)-2-hydroxybutanedioate phosphate Traditional Name: 2-(2-acetylperoxy-2-keto-ethyl)-2-hydroxy-succinate phosphate Formula: C8H8O13P-5 MolecularWeight: 343.115081

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC(=O)CC(CC(=O)[O-])(C(=O)[O-])O.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC(=O)OOC(=O)CC(CC(=O)[O-])(C(=O)[O-])O.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C8H10O9.H3O4P/c1-4(9)16-17-6(12)3-8(15,7(13)14)2-5(10)11;1-5(2,3)4/h15H,2-3H2,1H3,(H,10,11)(H,13,14);(H3,1,2,3,4)/p-5