dicalcium 2-(4-oxidanidyl-2-oxidanyl-4-oxidanylidene-butanoyl)oxypropane-1,2,3-tricarboxylate

Systemtic Name: dicalcium 2-(4-oxidanidyl-2-oxidanyl-4-oxidanylidene-butanoyl)oxypropane-1,2,3-tricarboxylate Openeye Name: dicalcium 2-(2-hydroxy-4-oxido-4-oxo-butanoyl)oxypropane-1,2,3-tricarboxylate CAS Name: dicalcium 2-(2-hydroxy-4-oxido-1,4-dioxobutoxy)propane-1,2,3-tricarboxylate IUPAC Name: dicalcium 2-(2-hydroxy-4-oxido-4-oxobutanoyl)oxypropane-1,2,3-tricarboxylate Traditional Name: dicalcium 2-(2-hydroxy-4-keto-4-oxido-butanoyl)oxypropane-1,2,3-tricarboxylate Formula: C10H8Ca2O11 MolecularWeight: 384.31992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O11.2Ca/c11-4(1-5(12)13)8(18)21-10(9(19)20,2-6(14)15)3-7(16)17;;/h4,11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,19,20);;/q;2*+2/p-4