calcium 2-(hydroxymethyl)-4-oxidanyl-butanoate

Systemtic Name: calcium 2-(hydroxymethyl)-4-oxidanyl-butanoate Openeye Name: calcium 4-hydroxy-2-(hydroxymethyl)butanoate CAS Name: calcium 4-hydroxy-2-(hydroxymethyl)butanoate IUPAC Name: calcium 4-hydroxy-2-(hydroxymethyl)butanoate Traditional Name: calcium 4-hydroxy-2-methylol-butyrate Formula: C5H9CaO4+ MolecularWeight: 173.20056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H10O4.Ca/c6-2-1-4(3-7)5(8)9;/h4,6-7H,1-3H2,(H,8,9);/q;+2/p-1