2,4-bis(1-ethylaziridin-1-ium-1-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(1-ethylaziridin-1-ium-1-yl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(1-ethylaziridin-1-ium-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(1-ethyl-1-aziridin-1-iumyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(1-ethylaziridin-1-ium-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(1-ethylethylenimin-1-ium-1-yl)isophthalic acid Formula: C16H22N2O4+2 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-3-17(7-8-17)12-6-5-11(15(19)20)14(13(12)16(21)22)18(4-2)9-10-18/h5-6H,3-4,7-10H2,1-2H3/p+2