barium(2+); [(4S)-4,5-bis(oxidanyl)pentanoyl] phosphate

Systemtic Name: barium(2+); [(4S)-4,5-bis(oxidanyl)pentanoyl] phosphate Openeye Name: barium(2+); [(4S)-4,5-dihydroxypentanoyl] phosphate CAS Name: barium(2+); [(4S)-4,5-dihydroxy-1-oxopentyl] phosphate IUPAC Name: barium(2+); [(4S)-4,5-dihydroxypentanoyl] phosphate Traditional Name: barium(2+); [(4S)-4,5-dihydroxypentanoyl] phosphate Formula: C5H9BaO7P MolecularWeight: 349.421521

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)OP(=O)([O-])[O-])C(CO)O.[Ba+2]

Isomeric SMILES

C(CC(=O)OP(=O)([O-])[O-])[C@@H](CO)O.[Ba+2]

InChI

InChI=1S/C5H11O7P.Ba/c6-3-4(7)1-2-5(8)12-13(9,10)11;/h4,6-7H,1-3H2,(H2,9,10,11);/q;+2/p-2/t4-;/m0./s1