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

Systemtic Name: 3,5,6-tris[2-(aziridin-1-yl)ethyl]benzene-1,2,4-tricarboxylate Openeye Name: 3,5,6-tris[2-(aziridin-1-yl)ethyl]benzene-1,2,4-tricarboxylate CAS Name: 3,5,6-tris[2-(1-aziridinyl)ethyl]benzene-1,2,4-tricarboxylate IUPAC Name: 3,5,6-tris[2-(aziridin-1-yl)ethyl]benzene-1,2,4-tricarboxylate Traditional Name: 3,5,6-tris(2-ethyleniminoethyl)benzene-1,2,4-tricarboxylate Formula: C21H24N3O6-3 MolecularWeight: 414.43176

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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)/p-3