1H-imidazol-5-yl 2-oxidanylidenepropyl phosphate

Systemtic Name: 1H-imidazol-5-yl 2-oxidanylidenepropyl phosphate Openeye Name: acetonyl 1H-imidazol-5-yl phosphate CAS Name: 1H-imidazol-5-yl 2-oxopropyl phosphate IUPAC Name: 1H-imidazol-5-yl 2-oxopropyl phosphate Traditional Name: acetonyl 1H-imidazol-5-yl phosphate Formula: C6H8N2O5P- MolecularWeight: 219.111881

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COP(=O)([O-])OC1=CN=CN1

Isomeric SMILES

CC(=O)COP(=O)([O-])OC1=CN=CN1

InChI

InChI=1S/C6H9N2O5P/c1-5(9)3-12-14(10,11)13-6-2-7-4-8-6/h2,4H,3H2,1H3,(H,7,8)(H,10,11)/p-1