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

Systemtic Name: sodium [(E)-4-(dimethylamino)-4-oxidanylidene-but-2-en-2-yl] methyl phosphate Openeye Name: sodium [(E)-3-(dimethylamino)-1-methyl-3-oxo-prop-1-enyl] methyl phosphate CAS Name: sodium [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] methyl phosphate IUPAC Name: sodium [(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] methyl phosphate Traditional Name: sodium [(E)-3-(dimethylamino)-3-keto-1-methyl-prop-1-enyl] methyl phosphate Formula: C7H13NNaO5P MolecularWeight: 245.145351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14NO5P.Na/c1-6(5-7(9)8(2)3)13-14(10,11)12-4;/h5H,1-4H3,(H,10,11);/q;+1/p-1/b6-5+;