(2S,3S)-2,3-bis(oxidanyl)butanedioate; (3-chloranyl-2-oxidanyl-propyl)-trimethyl-azanium

Systemtic Name: (2S,3S)-2,3-bis(oxidanyl)butanedioate; (3-chloranyl-2-oxidanyl-propyl)-trimethyl-azanium Openeye Name: (3-chloro-2-hydroxy-propyl)-trimethyl-ammonium; (2S,3S)-2,3-dihydroxybutanedioate CAS Name: (3-chloro-2-hydroxypropyl)-trimethylammonium; (2S,3S)-2,3-dihydroxybutanedioate IUPAC Name: (3-chloro-2-hydroxypropyl)-trimethylazanium; (2S,3S)-2,3-dihydroxybutanedioate Traditional Name: (3-chloro-2-hydroxy-propyl)-trimethyl-ammonium; (2S,3S)-2,3-dihydroxysuccinate Formula: C16H34Cl2N2O8 MolecularWeight: 453.35576

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CCl)O.C[N+](C)(C)CC(CCl)O.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/2C6H15ClNO.C4H6O6/c2*1-8(2,3)5-6(9)4-7;5-1(3(7)8)2(6)4(9)10/h2*6,9H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q2*+1;/p-2/t;;1-,2-/m..0/s1