calcium (3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoate

Systemtic Name: calcium (3S,4R,5R)-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoate Openeye Name: calcium (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxo-hexanoate CAS Name: calcium (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate IUPAC Name: calcium (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate Traditional Name: calcium (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-keto-hexanoate Formula: C12H18CaO14 MolecularWeight: 426.34092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H10O7.Ca/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-4,7-10H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+;/m11./s1