sodium methyl [(E)-4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] phosphate

Systemtic Name: sodium methyl [(E)-4-(methylamino)-4-oxidanylidene-but-2-en-2-yl] phosphate Openeye Name: sodium methyl [(E)-1-methyl-3-(methylamino)-3-oxo-prop-1-enyl] phosphate CAS Name: sodium methyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate IUPAC Name: sodium methyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate Traditional Name: sodium [(E)-3-keto-1-methyl-3-(methylamino)prop-1-enyl] methyl phosphate Formula: C6H11NNaO5P MolecularWeight: 231.118771

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC)OP(=O)([O-])OC.[Na+]

Isomeric SMILES

C/C(=C\C(=O)NC)/OP(=O)([O-])OC.[Na+]

InChI

InChI=1S/C6H12NO5P.Na/c1-5(4-6(8)7-2)12-13(9,10)11-3;/h4H,1-3H3,(H,7,8)(H,9,10);/q;+1/p-1/b5-4+;