tris[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]azanium ethanoate

Systemtic Name: tris[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]azanium ethanoate Openeye Name: tris[2-(2,5-dioxopyrrol-1-yl)ethyl]ammonium acetate CAS Name: tris[2-(2,5-dioxo-1-pyrrolyl)ethyl]ammonium acetate IUPAC Name: tris[2-(2,5-dioxopyrrol-1-yl)ethyl]azanium acetate Traditional Name: tris(2-maleimidoethyl)ammonium acetate Formula: C20H22N4O8 MolecularWeight: 446.41068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC(=O)N(C1=O)CC[NH+](CCN2C(=O)C=CC2=O)CCN3C(=O)C=CC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC(=O)N(C1=O)CC[NH+](CCN2C(=O)C=CC2=O)CCN3C(=O)C=CC3=O

InChI

InChI=1S/C18H18N4O6.C2H4O2/c23-13-1-2-14(24)20(13)10-7-19(8-11-21-15(25)3-4-16(21)26)9-12-22-17(27)5-6-18(22)28;1-2(3)4/h1-6H,7-12H2;1H3,(H,3,4)