chloranyloxy-[oxidanyl(phosphonato)methyl]phosphinate; titanium(4+)

Systemtic Name: chloranyloxy-[oxidanyl(phosphonato)methyl]phosphinate; titanium(4+) Openeye Name: chlorooxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) CAS Name: chlorooxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) IUPAC Name: chlorooxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) Traditional Name: chlorooxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) Formula: C4H8Cl4O28P8Ti3 MolecularWeight: 1037.292608

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Descriptors Computed from Structure

Canonical SMILES:

C(O)(P(=O)([O-])[O-])P(=O)([O-])OCl.C(O)(P(=O)([O-])[O-])P(=O)([O-])OCl.C(O)(P(=O)([O-])[O-])P(=O)([O-])OCl.C(O)(P(=O)([O-])[O-])P(=O)([O-])OCl.[Ti+4].[Ti+4].[Ti+4]

Isomeric SMILES

C(O)(P(=O)([O-])[O-])P(=O)([O-])OCl.C(O)(P(=O)([O-])[O-])P(=O)([O-])OCl.C(O)(P(=O)([O-])[O-])P(=O)([O-])OCl.C(O)(P(=O)([O-])[O-])P(=O)([O-])OCl.[Ti+4].[Ti+4].[Ti+4]

InChI

InChI=1S/4CH5ClO7P2.3Ti/c4*2-9-11(7,8)1(3)10(4,5)6;;;/h4*1,3H,(H,7,8)(H2,4,5,6);;;/q;;;;3*+4/p-12