4,4-bis(oxidanyl)but-3-en-2-one; dimethyl phosphate

Systemtic Name: 4,4-bis(oxidanyl)but-3-en-2-one; dimethyl phosphate Openeye Name: 4,4-dihydroxybut-3-en-2-one; dimethyl phosphate CAS Name: 4,4-dihydroxy-3-buten-2-one; dimethyl phosphate IUPAC Name: 4,4-dihydroxybut-3-en-2-one; dimethyl phosphate Traditional Name: 4,4-dihydroxybut-3-en-2-one; dimethyl phosphate Formula: C6H12O7P- MolecularWeight: 227.129041

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(O)O.COP(=O)([O-])OC

Isomeric SMILES

CC(=O)C=C(O)O.COP(=O)([O-])OC

InChI

InChI=1S/C4H6O3.C2H7O4P/c1-3(5)2-4(6)7;1-5-7(3,4)6-2/h2,6-7H,1H3;1-2H3,(H,3,4)/p-1