dicalcium 4-(dioxidanyl)-4-oxidanylidene-butane-1,2,3-tricarboxylate

Systemtic Name: dicalcium 4-(dioxidanyl)-4-oxidanylidene-butane-1,2,3-tricarboxylate Openeye Name: dicalcium 4-hydroperoxy-4-oxo-butane-1,2,3-tricarboxylate CAS Name: dicalcium 4-hydroperoxy-4-oxobutane-1,2,3-tricarboxylate IUPAC Name: dicalcium 4-hydroperoxy-4-oxobutane-1,2,3-tricarboxylate Traditional Name: dicalcium 4-hydroperoxy-4-keto-butane-1,2,3-tricarboxylate Formula: C7H5Ca2O9+ MolecularWeight: 313.2652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O9.2Ca/c8-3(9)1-2(5(10)11)4(6(12)13)7(14)16-15;;/h2,4,15H,1H2,(H,8,9)(H,10,11)(H,12,13);;/q;2*+2/p-3