calcium [2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium diphosphate

Systemtic Name: calcium [2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium diphosphate Openeye Name: calcium (2,4-dihydroxy-4-oxo-butyl)-trimethyl-ammonium diphosphate CAS Name: calcium (2,4-dihydroxy-4-oxobutyl)-trimethylammonium diphosphate IUPAC Name: calcium (2,4-dihydroxy-4-oxobutyl)-trimethylazanium diphosphate Traditional Name: calcium (2,4-dihydroxy-4-keto-butyl)-trimethyl-ammonium diphosphate Formula: C7H16CaNO11P2-3 MolecularWeight: 392.227562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.Ca.2H3O4P/c1-8(2,3)5-6(9)4-7(10)11;;2*1-5(2,3)4/h6,9H,4-5H2,1-3H3;;2*(H3,1,2,3,4)/q;+2;;/p-5