disodium [acetyloxy-[bis(chloranyl)-phosphonato-methyl]phosphoryl] ethanoate

Systemtic Name: disodium [acetyloxy-[bis(chloranyl)-phosphonato-methyl]phosphoryl] ethanoate Openeye Name: disodium [acetoxy-[dichloro(phosphonato)methyl]phosphoryl] acetate CAS Name: disodium acetic acid [acetyloxy-[dichloro(phosphonato)methyl]phosphoryl] ester IUPAC Name: disodium [acetyloxy-[dichloro(phosphonato)methyl]phosphoryl] acetate Traditional Name: disodium acetic acid [acetoxy-[dichloro(phosphonato)methyl]phosphoryl] ester Formula: C5H6Cl2Na2O8P2 MolecularWeight: 372.929402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8Cl2O8P2.2Na/c1-3(8)14-17(13,15-4(2)9)5(6,7)16(10,11)12;;/h1-2H3,(H2,10,11,12);;/q;2*+1/p-2