2-oxidanyl-4-oxidanylidene-4-(2-oxidanyl-2-phenyl-ethanoyl)peroxy-butanoic acid

Systemtic Name: 2-oxidanyl-4-oxidanylidene-4-(2-oxidanyl-2-phenyl-ethanoyl)peroxy-butanoic acid Openeye Name: 2-hydroxy-4-(2-hydroxy-2-phenyl-acetyl)peroxy-4-oxo-butanoic acid CAS Name: 2-hydroxy-4-(2-hydroxy-1-oxo-2-phenylethyl)dioxy-4-oxobutanoic acid IUPAC Name: 2-hydroxy-4-(2-hydroxy-2-phenylacetyl)peroxy-4-oxobutanoic acid Traditional Name: 2-hydroxy-4-keto-4-mandeloylperoxy-butyric acid Formula: C12H12O8 MolecularWeight: 284.21888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OOC(=O)CC(C(=O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)OOC(=O)CC(C(=O)O)O)O

InChI

InChI=1S/C12H12O8/c13-8(11(16)17)6-9(14)19-20-12(18)10(15)7-4-2-1-3-5-7/h1-5,8,10,13,15H,6H2,(H,16,17)