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calcium 3-carboxy-3-oxidanyl-pentanedioate

calcium 3-carboxy-3-oxidanyl-pentanedioate

Systemtic Name:calcium 3-carboxy-3-oxidanyl-pentanedioate
Openeye Name:calcium 3-carboxy-3-hydroxy-pentanedioate
CAS Name:calcium 3-carboxy-3-hydroxypentanedioate
IUPAC Name:calcium 3-carboxy-3-hydroxypentanedioate
Traditional Name:calcium 3-carboxy-3-hydroxy-glutarate
Formula: C6H6CaO7
MolecularWeight: 230.18564
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C6H8O7.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+2/p-2


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