1-hydroxyethylazanium; 4-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)peroxy-butanoate

Systemtic Name: 1-hydroxyethylazanium; 4-oxidanylidene-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)peroxy-butanoate Openeye Name: 1-hydroxyethylammonium; 4-(2-hydroxy-1-methyl-2-oxo-ethyl)peroxy-4-oxo-butanoate CAS Name: 1-hydroxyethylammonium; 4-(1-hydroxy-1-oxopropan-2-yl)dioxy-4-oxobutanoate IUPAC Name: 1-hydroxyethylazanium; 4-(1-hydroxy-1-oxopropan-2-yl)peroxy-4-oxobutanoate Traditional Name: 1-hydroxyethylammonium; 4-(2-hydroxy-2-keto-1-methyl-ethyl)peroxy-4-keto-butyrate Formula: C9H17NO8 MolecularWeight: 267.23318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OOC(=O)CCC(=O)[O-].CC([NH3+])O

Isomeric SMILES

CC(C(=O)O)OOC(=O)CCC(=O)[O-].CC([NH3+])O

InChI

InChI=1S/C7H10O7.C2H7NO/c1-4(7(11)12)13-14-6(10)3-2-5(8)9;1-2(3)4/h4H,2-3H2,1H3,(H,8,9)(H,11,12);2,4H,3H2,1H3