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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(C(=O)[C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O.C(C(=O)[C@H]([C@@H]([C@H](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*3-5,7,9-11H,1H2,(H,12,13);/q;;+2/p-2/t2*3-,4+,5-;/m11./s1