calcium 2-chloranylpropan-1-ol diphosphate

Systemtic Name: calcium 2-chloranylpropan-1-ol diphosphate Openeye Name: calcium 2-chloropropan-1-ol diphosphate CAS Name: calcium 2-chloro-1-propanol diphosphate IUPAC Name: calcium 2-chloropropan-1-ol diphosphate Traditional Name: calcium 2-chloropropan-1-ol diphosphate Formula: C3H7CaClO9P2-4 MolecularWeight: 324.560802

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)Cl.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

CC(CO)Cl.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/C3H7ClO.Ca.2H3O4P/c1-3(4)2-5;;2*1-5(2,3)4/h3,5H,2H2,1H3;;2*(H3,1,2,3,4)/q;+2;;/p-6