[(E)-2-methyl-4-oxidanyl-but-2-enyl] phosphono hydrogen phosphate

Systemtic Name: [(E)-2-methyl-4-oxidanyl-but-2-enyl] phosphono hydrogen phosphate Openeye Name: [(E)-4-hydroxy-2-methyl-but-2-enyl] phosphono hydrogen phosphate CAS Name: [(E)-4-hydroxy-2-methylbut-2-enyl] phosphono hydrogen phosphate IUPAC Name: [(E)-4-hydroxy-2-methylbut-2-enyl] phosphono hydrogen phosphate Traditional Name: [(E)-4-hydroxy-2-methyl-but-2-enyl] phosphono hydrogen phosphate Formula: C5H12O8P2 MolecularWeight: 262.091502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCO)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C/C(=C\CO)/COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C5H12O8P2/c1-5(2-3-6)4-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+