phenoxy(phosphonatomethyl)phosphinate; titanium(4+)

Systemtic Name: phenoxy(phosphonatomethyl)phosphinate; titanium(4+) Openeye Name: phenoxy(phosphonatomethyl)phosphinate; titanium(4+) CAS Name: phenoxy(phosphonatomethyl)phosphinate; titanium(4+) IUPAC Name: phenoxy(phosphonatomethyl)phosphinate; titanium(4+) Traditional Name: phenoxy(phosphonatomethyl)phosphinate; titanium(4+) Formula: C28H28O24P8Ti3 MolecularWeight: 1139.898608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C7H10O6P2.3Ti/c4*8-14(9,10)6-15(11,12)13-7-4-2-1-3-5-7;;;/h4*1-5H,6H2,(H,11,12)(H2,8,9,10);;;/q;;;;3*+4/p-12