2,4,6-tris(1-ethylaziridin-1-ium-1-yl)benzene-1,3,5-tricarboxylic acid

Systemtic Name: 2,4,6-tris(1-ethylaziridin-1-ium-1-yl)benzene-1,3,5-tricarboxylic acid Openeye Name: 2,4,6-tris(1-ethylaziridin-1-ium-1-yl)benzene-1,3,5-tricarboxylic acid CAS Name: 2,4,6-tris(1-ethyl-1-aziridin-1-iumyl)benzene-1,3,5-tricarboxylic acid IUPAC Name: 2,4,6-tris(1-ethylaziridin-1-ium-1-yl)benzene-1,3,5-tricarboxylic acid Traditional Name: 2,4,6-tris(1-ethylethylenimin-1-ium-1-yl)trimesic acid Formula: C21H30N3O6+3 MolecularWeight: 420.4794

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC1)C2=C(C(=C(C(=C2C(=O)O)[N+]3(CC3)CC)C(=O)O)[N+]4(CC4)CC)C(=O)O

Isomeric SMILES

CC[N+]1(CC1)C2=C(C(=C(C(=C2C(=O)O)[N+]3(CC3)CC)C(=O)O)[N+]4(CC4)CC)C(=O)O

InChI

InChI=1S/C21H27N3O6/c1-4-22(7-8-22)16-13(19(25)26)17(23(5-2)9-10-23)15(21(29)30)18(14(16)20(27)28)24(6-3)11-12-24/h4-12H2,1-3H3/p+3