tricalcium (E)-but-2-enedioic acid diphosphate

Systemtic Name: tricalcium (E)-but-2-enedioic acid diphosphate Openeye Name: tricalcium fumaric acid diphosphate CAS Name: tricalcium (E)-2-butenedioic acid diphosphate IUPAC Name: tricalcium (E)-but-2-enedioic acid diphosphate Traditional Name: tricalcium fumaric acid diphosphate Formula: C4H4Ca3O12P2 MolecularWeight: 426.248882

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Descriptors Computed from Structure

Canonical SMILES:

C(=CC(=O)O)C(=O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C(=C/C(=O)O)\C(=O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C4H4O4.3Ca.2H3O4P/c5-3(6)1-2-4(7)8;;;;2*1-5(2,3)4/h1-2H,(H,5,6)(H,7,8);;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6/b2-1+;;;;;