calcium (2S)-4-methylsulfanyl-2-oxidanyl-butanoate

Systemtic Name: calcium (2S)-4-methylsulfanyl-2-oxidanyl-butanoate Openeye Name: calcium (2S)-2-hydroxy-4-methylsulfanyl-butanoate CAS Name: calcium (2S)-2-hydroxy-4-(methylthio)butanoate IUPAC Name: calcium (2S)-2-hydroxy-4-methylsulfanylbutanoate Traditional Name: calcium (2S)-2-hydroxy-4-(methylthio)butyrate Formula: C10H18CaO6S2 MolecularWeight: 338.45432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])O.CSCC[C@@H](C(=O)[O-])O.[Ca+2]

InChI

InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2/t2*4-;/m00./s1