sodium 4-[4,4,5,5-tetramethyl-1,3-bis(oxidanidyl)imidazol-1-ium-2-yl]benzoate

Systemtic Name: sodium 4-[4,4,5,5-tetramethyl-1,3-bis(oxidanidyl)imidazol-1-ium-2-yl]benzoate Openeye Name: sodium 4-(4,4,5,5-tetramethyl-1,3-dioxido-imidazol-1-ium-2-yl)benzoate CAS Name: sodium 4-(4,4,5,5-tetramethyl-1,3-dioxido-2-imidazol-1-iumyl)benzoate IUPAC Name: sodium 4-(4,4,5,5-tetramethyl-1,3-dioxidoimidazol-1-ium-2-yl)benzoate Traditional Name: sodium 4-(4,4,5,5-tetramethyl-1,3-dioxido-2-imidazolin-1-ium-2-yl)benzoate Formula: C14H16N2NaO4- MolecularWeight: 299.27761

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+](=C(N1[O-])C2=CC=C(C=C2)C(=O)[O-])[O-])(C)C)C.[Na+]

Isomeric SMILES

CC1(C([N+](=C(N1[O-])C2=CC=C(C=C2)C(=O)[O-])[O-])(C)C)C.[Na+]

InChI

InChI=1S/C14H17N2O4.Na/c1-13(2)14(3,4)16(20)11(15(13)19)9-5-7-10(8-6-9)12(17)18;/h5-8H,1-4H3,(H,17,18);/q-1;+1/p-1