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

Systemtic Name: 1,2,5-tris[2-(aziridin-1-yl)ethyl]cyclohexa-3,5-diene-1,2,4-tricarboxylate Openeye Name: 1,2,5-tris[2-(aziridin-1-yl)ethyl]cyclohexa-3,5-diene-1,2,4-tricarboxylate CAS Name: 1,2,5-tris[2-(1-aziridinyl)ethyl]cyclohexa-3,5-diene-1,2,4-tricarboxylate IUPAC Name: 1,2,5-tris[2-(aziridin-1-yl)ethyl]cyclohexa-3,5-diene-1,2,4-tricarboxylate Traditional Name: 1,2,5-tris(2-ethyleniminoethyl)cyclohexa-3,5-diene-1,2,4-tricarboxylate Formula: C21H26N3O6-3 MolecularWeight: 416.44764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CCC2=CC(C(C=C2C(=O)[O-])(CCN3CC3)C(=O)[O-])(CCN4CC4)C(=O)[O-]

Isomeric SMILES

C1CN1CCC2=CC(C(C=C2C(=O)[O-])(CCN3CC3)C(=O)[O-])(CCN4CC4)C(=O)[O-]

InChI

InChI=1S/C21H29N3O6/c25-17(26)16-14-21(19(29)30,3-6-24-11-12-24)20(18(27)28,2-5-23-9-10-23)13-15(16)1-4-22-7-8-22/h13-14H,1-12H2,(H,25,26)(H,27,28)(H,29,30)/p-3