tricalcium phenoxy(phosphonatomethyl)phosphinate

Systemtic Name: tricalcium phenoxy(phosphonatomethyl)phosphinate Openeye Name: tricalcium phenoxy(phosphonatomethyl)phosphinate CAS Name: tricalcium phenoxy(phosphonatomethyl)phosphinate IUPAC Name: tricalcium phenoxy(phosphonatomethyl)phosphinate Traditional Name: tricalcium phenoxy(phosphonatomethyl)phosphinate Formula: C14H14Ca3O12P4 MolecularWeight: 618.382804

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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-].[Ca+2].[Ca+2].[Ca+2]

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-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C7H10O6P2.3Ca/c2*8-14(9,10)6-15(11,12)13-7-4-2-1-3-5-7;;;/h2*1-5H,6H2,(H,11,12)(H2,8,9,10);;;/q;;3*+2/p-6