tetrasodium [oxidanyl(phosphonato)methyl]-(trichloromethyloxy)phosphinate

Systemtic Name: tetrasodium [oxidanyl(phosphonato)methyl]-(trichloromethyloxy)phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-(trichloromethoxy)phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-(trichloromethoxy)phosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-(trichloromethoxy)phosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-(trichloromethoxy)phosphinate Formula: C8H8Cl12Na4O28P8-8 MolecularWeight: 1317.317488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C2H5Cl3O7P2.4Na/c4*3-2(4,5)12-14(10,11)1(6)13(7,8)9;;;;/h4*1,6H,(H,10,11)(H2,7,8,9);;;;/q;;;;4*+1/p-12