calcium [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid hydrate

Systemtic Name: calcium [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid hydrate Openeye Name: calcium [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid hydrate CAS Name: calcium [(2R,3S)-3-methyl-2-oxiranyl]phosphonic acid hydrate IUPAC Name: calcium [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid hydrate Traditional Name: calcium [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid hydrate Formula: C3H9CaO5P+2 MolecularWeight: 196.152321

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(O1)P(=O)(O)O.O.[Ca+2]

Isomeric SMILES

C[C@H]1[C@H](O1)P(=O)(O)O.O.[Ca+2]

InChI

InChI=1S/C3H7O4P.Ca.H2O/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;1H2/q;+2;/t2-,3+;;/m0../s1