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

Systemtic Name: ethenoxy-[oxidanyl(phosphonato)methyl]phosphinate; titanium(4+) Openeye Name: [hydroxy(phosphonato)methyl]-vinyloxy-phosphinate; titanium(4+) CAS Name: ethenoxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) IUPAC Name: ethenoxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) Traditional Name: [hydroxy(phosphonato)methyl]-vinyloxy-phosphinate; titanium(4+) Formula: C12H20O28P8Ti3 MolecularWeight: 1003.661488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C3H8O7P2.3Ti/c4*1-2-10-12(8,9)3(4)11(5,6)7;;;/h4*2-4H,1H2,(H,8,9)(H2,5,6,7);;;/q;;;;3*+4/p-12