dimethyl hydrogen phosphate; (E)-4-(methylamino)-4-oxidanyl-but-3-en-2-one

Systemtic Name: dimethyl hydrogen phosphate; (E)-4-(methylamino)-4-oxidanyl-but-3-en-2-one Openeye Name: dimethyl hydrogen phosphate; (E)-4-hydroxy-4-(methylamino)but-3-en-2-one CAS Name: dimethyl hydrogen phosphate; (E)-4-hydroxy-4-(methylamino)-3-buten-2-one IUPAC Name: dimethyl hydrogen phosphate; (E)-4-hydroxy-4-(methylamino)but-3-en-2-one Traditional Name: dimethyl hydrogen phosphate; (E)-4-hydroxy-4-(methylamino)but-3-en-2-one Formula: C7H16NO6P MolecularWeight: 241.178801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(NC)O.COP(=O)(O)OC

Isomeric SMILES

CC(=O)/C=C(\NC)/O.COP(=O)(O)OC

InChI

InChI=1S/C5H9NO2.C2H7O4P/c1-4(7)3-5(8)6-2;1-5-7(3,4)6-2/h3,6,8H,1-2H3;1-2H3,(H,3,4)/b5-3+;