calcium 2-chloranylethanol diphosphate

Systemtic Name: calcium 2-chloranylethanol diphosphate Openeye Name: calcium 2-chloroethanol diphosphate CAS Name: calcium 2-chloroethanol diphosphate IUPAC Name: calcium 2-chloroethanol diphosphate Traditional Name: calcium 2-chloroethanol diphosphate Formula: C2H5CaClO9P2-4 MolecularWeight: 310.534222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C2H5ClO.Ca.2H3O4P/c3-1-2-4;;2*1-5(2,3)4/h4H,1-2H2;;2*(H3,1,2,3,4)/q;+2;;/p-6