calcium 1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylate

Systemtic Name: calcium 1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylate Openeye Name: calcium 1,3,4,5-tetrahydroxycyclohexanecarboxylate CAS Name: calcium 1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylate IUPAC Name: calcium 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate Traditional Name: calcium 1,3,4,5-tetrahydroxycyclohexanecarboxylate Formula: C14H22CaO12 MolecularWeight: 422.39528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1(C(=O)[O-])O)O)O)O.C1C(C(C(CC1(C(=O)[O-])O)O)O)O.[Ca+2]

Isomeric SMILES

C1C(C(C(CC1(C(=O)[O-])O)O)O)O.C1C(C(C(CC1(C(=O)[O-])O)O)O)O.[Ca+2]

InChI

InChI=1S/2C7H12O6.Ca/c2*8-3-1-7(13,6(11)12)2-4(9)5(3)10;/h2*3-5,8-10,13H,1-2H2,(H,11,12);/q;;+2/p-2