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

Systemtic Name: [oxidanyl(phosphonato)methyl]-phenoxy-phosphinate; titanium(4+) Openeye Name: [hydroxy(phosphonato)methyl]-phenoxy-phosphinate; titanium(4+) CAS Name: [hydroxy(phosphonato)methyl]-phenoxyphosphinate; titanium(4+) IUPAC Name: [hydroxy(phosphonato)methyl]-phenoxyphosphinate; titanium(4+) Traditional Name: [hydroxy(phosphonato)methyl]-phenoxy-phosphinate; titanium(4+) Formula: C28H28O28P8Ti3 MolecularWeight: 1203.896208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Ti+4].[Ti+4].[Ti+4]

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].C1=CC=C(C=C1)OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Ti+4].[Ti+4].[Ti+4]

InChI

InChI=1S/4C7H10O7P2.3Ti/c4*8-7(15(9,10)11)16(12,13)14-6-4-2-1-3-5-6;;;/h4*1-5,7-8H,(H,12,13)(H2,9,10,11);;;/q;;;;3*+4/p-12