calcium cyclohexane-1,2,3,4,5,6-hexol hexaphosphate

Systemtic Name: calcium cyclohexane-1,2,3,4,5,6-hexol hexaphosphate Openeye Name: calcium cyclohexane-1,2,3,4,5,6-hexol hexaphosphate CAS Name: calcium cyclohexane-1,2,3,4,5,6-hexol hexaphosphate IUPAC Name: calcium cyclohexane-1,2,3,4,5,6-hexol hexaphosphate Traditional Name: calcium cyclohexane-1,2,3,4,5,6-hexol hexaphosphate Formula: C6H12CaO30P6-16 MolecularWeight: 790.062046

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(C(C(C1O)O)O)O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

C1(C(C(C(C(C1O)O)O)O)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/C6H12O6.Ca.6H3O4P/c7-1-2(8)4(10)6(12)5(11)3(1)9;;6*1-5(2,3)4/h1-12H;;6*(H3,1,2,3,4)/q;+2;;;;;;/p-18