calcium; tripotassium; 3-(oxidanidyloxymethyl)-3-oxidanyl-pentanoate; 4-oxidanidyloxy-2-(2-oxidanidyloxyethyl)-2-oxidanyl-butanoate

Systemtic Name: calcium; tripotassium; 3-(oxidanidyloxymethyl)-3-oxidanyl-pentanoate; 4-oxidanidyloxy-2-(2-oxidanidyloxyethyl)-2-oxidanyl-butanoate Openeye Name: calcium; tripotassium; 3-hydroxy-3-(oxidooxymethyl)pentanoate; 2-hydroxy-4-oxidooxy-2-(2-oxidooxyethyl)butanoate CAS Name: calcium; tripotassium; 3-hydroxy-3-(oxidooxymethyl)pentanoate; 2-hydroxy-4-oxidooxy-2-(2-oxidooxyethyl)butanoate IUPAC Name: calcium; tripotassium; 3-hydroxy-3-(oxidooxymethyl)pentanoate; 2-hydroxy-4-oxidooxy-2-(2-oxidooxyethyl)butanoate Traditional Name: calcium; tripotassium; 3-hydroxy-3-(oxidooxymethyl)valerate; 2-hydroxy-4-oxidooxy-2-(2-oxidooxyethyl)butyrate Formula: C12H19CaK3O12 MolecularWeight: 512.64496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)[O-])(CO[O-])O.C(CO[O-])C(CCO[O-])(C(=O)[O-])O.[K+].[K+].[K+].[Ca+2]

Isomeric SMILES

CCC(CC(=O)[O-])(CO[O-])O.C(CO[O-])C(CCO[O-])(C(=O)[O-])O.[K+].[K+].[K+].[Ca+2]

InChI

InChI=1S/C6H12O7.C6H12O5.Ca.3K/c7-5(8)6(9,1-3-12-10)2-4-13-11;1-2-6(9,4-11-10)3-5(7)8;;;;/h9-11H,1-4H2,(H,7,8);9-10H,2-4H2,1H3,(H,7,8);;;;/q;;+2;3*+1/p-5