94464-30-9 Purity
96%
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Specification
The molecular formula is C20H12Ca2O10P2.
The molecular weight is 554.4 g/mol.
Some synonyms include 94465-66-4 Phenolphthalein diphosphate calcium salt and Dicalcium isobenzofuran-3,3-diylbis(p-phenylene) bis(phosphate).
It was created on August 20, 2009.
The component compounds are Calcium (CID 5460341) and Phenolphthalein diphosphate (CID 74975).
The InChIKey is GXVXXIGRDFWXEP-UHFFFAOYSA-J.
The canonical SMILES is C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-].[Ca+2].[Ca+2].
The exact mass is 553.9157523 g/mol.
It has 10 hydrogen bond acceptors.
Yes, the compound is canonicalized according to PubChem (release 2021.10.14).