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

Systemtic Name: chloromethyloxy-[oxidanyl(phosphonato)methyl]phosphinate; titanium(4+) Openeye Name: chloromethoxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) CAS Name: chloromethoxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) IUPAC Name: chloromethoxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) Traditional Name: chloromethoxy-[hydroxy(phosphonato)methyl]phosphinate; titanium(4+) Formula: C8H16Cl4O28P8Ti3 MolecularWeight: 1093.398928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C2H7ClO7P2.3Ti/c4*3-1-10-12(8,9)2(4)11(5,6)7;;;/h4*2,4H,1H2,(H,8,9)(H2,5,6,7);;;/q;;;;3*+4/p-12