(E)-but-2-enedioic acid; (3S)-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: (E)-but-2-enedioic acid; (3S)-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: fumaric acid; (3S)-3-hydroxy-4-(trimethylammonio)butanoate CAS Name: (E)-2-butenedioic acid; (3S)-3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: (E)-but-2-enedioic acid; (3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: fumaric acid; (3S)-3-hydroxy-4-(trimethylammonio)butyrate Formula: C11H19NO7 MolecularWeight: 277.27106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C4H4O4/c1-8(2,3)5-6(9)4-7(10)11;5-3(6)1-2-4(7)8/h6,9H,4-5H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t6-;/m0./s1