Phenolphthalein diphosphate calcium salt , CAS No.94465-66-4

Item Number
P344335
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P344335-5g
5g
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Basic Description

Synonyms94465-66-4 | Phenolphthalein diphosphate calcium salt | Dicalcium isobenzofuran-3,3-diylbis(p-phenylene) bis(phosphate) | EINECS 305-350-0 | DTXSID80241499 | FT-0642277 | calcium 4,4'-(3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(4,1-phenylene) diphosphate | dicalcium;[
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Names and Identifiers

IUPAC Name dicalcium;[4-[3-oxo-1-(4-phosphonatooxyphenyl)-2-benzofuran-1-yl]phenyl] phosphate
INCHI InChI=1S/C20H16O10P2.2Ca/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;/q;2*+2/p-4
InChi Key GXVXXIGRDFWXEP-UHFFFAOYSA-J
Canonical SMILES 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]
Isomeric SMILES 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]
PubChem CID 44148340
Molecular Weight 554.42

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