dicalcium [3-carboxy-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-3-yl] phosphate

Systemtic Name: dicalcium [3-carboxy-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-3-yl] phosphate Openeye Name: dicalcium [1-carboxy-1-(carboxymethyl)-3-hydroxy-3-oxo-propyl] phosphate CAS Name: dicalcium (3-carboxy-1,5-dihydroxy-1,5-dioxopentan-3-yl) phosphate IUPAC Name: dicalcium (3-carboxy-1,5-dihydroxy-1,5-dioxopentan-3-yl) phosphate Traditional Name: dicalcium [1-carboxy-1-(carboxymethyl)-3-hydroxy-3-keto-propyl] phosphate Formula: C6H7Ca2O10P+2 MolecularWeight: 350.243541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9O10P.2Ca/c7-3(8)1-6(5(11)12,2-4(9)10)16-17(13,14)15;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15);;/q;2*+2/p-2