[(E)-3-methylbut-1-enyl] phosphono hydrogen phosphate

Systemtic Name: [(E)-3-methylbut-1-enyl] phosphono hydrogen phosphate Openeye Name: [(E)-3-methylbut-1-enyl] phosphono hydrogen phosphate CAS Name: [(E)-3-methylbut-1-enyl] phosphono hydrogen phosphate IUPAC Name: [(E)-3-methylbut-1-enyl] phosphono hydrogen phosphate Traditional Name: [(E)-3-methylbut-1-enyl] phosphono hydrogen phosphate Formula: C5H12O7P2 MolecularWeight: 246.092102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC(C)/C=C/OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3-5H,1-2H3,(H,9,10)(H2,6,7,8)/b4-3+