calcium; 3,4,5-tris(oxidanyl)-6-phosphonooxy-hexanoic acid

Systemtic Name: calcium; 3,4,5-tris(oxidanyl)-6-phosphonooxy-hexanoic acid Openeye Name: calcium; 3,4,5-trihydroxy-6-phosphonooxy-hexanoic acid CAS Name: calcium; 3,4,5-trihydroxy-6-phosphonooxyhexanoic acid IUPAC Name: calcium; 3,4,5-trihydroxy-6-phosphonooxyhexanoic acid Traditional Name: calcium; 3,4,5-trihydroxy-6-phosphonooxy-hexanoic acid Formula: C6H13CaO9P MolecularWeight: 300.213781

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(COP(=O)(O)O)O)O)O)C(=O)O.[Ca]

Isomeric SMILES

C(C(C(C(COP(=O)(O)O)O)O)O)C(=O)O.[Ca]

InChI

InChI=1S/C6H13O9P.Ca/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14;/h3-4,6-8,11H,1-2H2,(H,9,10)(H2,12,13,14);