tetracalcium [2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] phosphate

Systemtic Name: tetracalcium [2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] phosphate Openeye Name: tetracalcium (2,3,4,5,6-pentahydroxycyclohexyl) phosphate CAS Name: tetracalcium (2,3,4,5,6-pentahydroxycyclohexyl) phosphate IUPAC Name: tetracalcium (2,3,4,5,6-pentahydroxycyclohexyl) phosphate Traditional Name: tetracalcium (2,3,4,5,6-pentahydroxycyclohexyl) phosphate Formula: C6H11Ca4O9P+6 MolecularWeight: 418.431901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13O9P.4Ca/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14;;;;/h1-11H,(H2,12,13,14);;;;/q;4*+2/p-2