sodium (2S,3S)-3-methyl-2-oxidanyl-pentanoate

Systemtic Name: sodium (2S,3S)-3-methyl-2-oxidanyl-pentanoate Openeye Name: sodium (2S,3S)-2-hydroxy-3-methyl-pentanoate CAS Name: sodium (2S,3S)-2-hydroxy-3-methylpentanoate IUPAC Name: sodium (2S,3S)-2-hydroxy-3-methylpentanoate Traditional Name: sodium (2S,3S)-2-hydroxy-3-methyl-valerate Formula: C6H11NaO3 MolecularWeight: 154.13951

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])O.[Na+]

InChI

InChI=1S/C6H12O3.Na/c1-3-4(2)5(7)6(8)9;/h4-5,7H,3H2,1-2H3,(H,8,9);/q;+1/p-1/t4-,5-;/m0./s1