calcium (1-oxidanyl-1-phosphonato-ethyl)phosphonic acid

Systemtic Name: calcium (1-oxidanyl-1-phosphonato-ethyl)phosphonic acid Openeye Name: calcium (1-hydroxy-1-phosphonato-ethyl)phosphonic acid CAS Name: calcium (1-hydroxy-1-phosphonatoethyl)phosphonic acid IUPAC Name: calcium (1-hydroxy-1-phosphonatoethyl)phosphonic acid Traditional Name: calcium (1-hydroxy-1-phosphonato-ethyl)phosphonic acid Formula: C2H6CaO7P2 MolecularWeight: 244.090362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C2H8O7P2.Ca/c1-2(3,10(4,5)6)11(7,8)9;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);/q;+2/p-2