[(E)-3-methyl-4-[4-(phenylcarbonyl)phenoxy]but-2-enyl] phosphono hydrogen phosphate

Systemtic Name: [(E)-3-methyl-4-[4-(phenylcarbonyl)phenoxy]but-2-enyl] phosphono hydrogen phosphate Openeye Name: [(E)-4-(4-benzoylphenoxy)-3-methyl-but-2-enyl] phosphono hydrogen phosphate CAS Name: [(E)-4-(4-benzoylphenoxy)-3-methylbut-2-enyl] phosphono hydrogen phosphate IUPAC Name: [(E)-4-(4-benzoylphenoxy)-3-methylbut-2-enyl] phosphono hydrogen phosphate Traditional Name: [(E)-4-(4-benzoylphenoxy)-3-methyl-but-2-enyl] phosphono hydrogen phosphate Formula: C18H20O9P2 MolecularWeight: 442.293522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOP(=O)(O)OP(=O)(O)O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

C/C(=C\COP(=O)(O)OP(=O)(O)O)/COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20O9P2/c1-14(11-12-26-29(23,24)27-28(20,21)22)13-25-17-9-7-16(8-10-17)18(19)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,23,24)(H2,20,21,22)/b14-11+