ethyl 2-[4,7,10-tris(2-ethoxy-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]ethanoate

Systemtic Name: ethyl 2-[4,7,10-tris(2-ethoxy-2-oxidanylidene-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]ethanoate Openeye Name: ethyl 2-[4,7,10-tris(2-ethoxy-2-oxo-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetate CAS Name: 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetate Traditional Name: 2-[4,7,10-tris(2-ethoxy-2-keto-ethyl)-4,10-diaza-1,7-diazoniacyclododec-1-yl]acetic acid ethyl ester Formula: C24H46N4O8+2 MolecularWeight: 518.64404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC[NH+](CCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC[NH+](CCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C24H44N4O8/c1-5-33-21(29)17-25-9-11-26(18-22(30)34-6-2)13-15-28(20-24(32)36-8-4)16-14-27(12-10-25)19-23(31)35-7-3/h5-20H2,1-4H3/p+2