magnesium; 5-[(3R)-1,2-dithiolan-3-yl]pentanoate; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: magnesium; 5-[(3R)-1,2-dithiolan-3-yl]pentanoate; (3R)-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: magnesium; 5-[(3R)-dithiolan-3-yl]pentanoate; (3R)-3-hydroxy-4-(trimethylammonio)butanoate CAS Name: magnesium; 5-[(3R)-3-dithiolanyl]pentanoate; (3R)-3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: magnesium; 5-[(3R)-dithiolan-3-yl]pentanoate; (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: magnesium; 5-[(3R)-dithiolan-3-yl]valerate; (3R)-3-hydroxy-4-(trimethylammonio)butyrate Formula: C23H41MgNO7S4 MolecularWeight: 596.13914

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])O.C1CSSC1CCCCC(=O)[O-].C1CSSC1CCCCC(=O)[O-].[Mg+2]

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])O.C1CSS[C@@H]1CCCCC(=O)[O-].C1CSS[C@@H]1CCCCC(=O)[O-].[Mg+2]

InChI

InChI=1S/2C8H14O2S2.C7H15NO3.Mg/c2*9-8(10)4-2-1-3-7-5-6-11-12-7;1-8(2,3)5-6(9)4-7(10)11;/h2*7H,1-6H2,(H,9,10);6,9H,4-5H2,1-3H3;/q;;;+2/p-2/t2*7-;6-;/m111./s1