3,5,6-tris[2-(aziridin-1-yl)ethyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tris[2-(aziridin-1-yl)ethyl]benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris[2-(aziridin-1-yl)ethyl]benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris[2-(1-aziridinyl)ethyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris[2-(aziridin-1-yl)ethyl]benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris(2-ethyleniminoethyl)trimellitic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CCC2=C(C(=C(C(=C2C(=O)O)CCN3CC3)C(=O)O)C(=O)O)CCN4CC4

Isomeric SMILES

C1CN1CCC2=C(C(=C(C(=C2C(=O)O)CCN3CC3)C(=O)O)C(=O)O)CCN4CC4

InChI

InChI=1S/C21H27N3O6/c25-19(26)16-13(1-4-22-7-8-22)14(2-5-23-9-10-23)17(20(27)28)18(21(29)30)15(16)3-6-24-11-12-24/h1-12H2,(H,25,26)(H,27,28)(H,29,30)