tricalcium cyclohexane-1,2,3,4,5,6-hexol diphosphate

Systemtic Name: tricalcium cyclohexane-1,2,3,4,5,6-hexol diphosphate Openeye Name: tricalcium cyclohexane-1,2,3,4,5,6-hexol diphosphate CAS Name: tricalcium cyclohexane-1,2,3,4,5,6-hexol diphosphate IUPAC Name: tricalcium cyclohexane-1,2,3,4,5,6-hexol diphosphate Traditional Name: tricalcium cyclohexane-1,2,3,4,5,6-hexol diphosphate Formula: C6H12Ca3O14P2 MolecularWeight: 490.332602

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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-].[Ca+2].[Ca+2].[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-].[Ca+2].[Ca+2].[Ca+2]

InChI

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