2-[2,3,4-tris(2-oxidanidyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazacyclotetradec-1-yl]ethanoate

Systemtic Name: 2-[2,3,4-tris(2-oxidanidyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazacyclotetradec-1-yl]ethanoate Openeye Name: 2-[2,3,4-tris(2-oxido-2-oxo-ethyl)-1,2,3,4-tetrazacyclotetradec-1-yl]acetate CAS Name: 2-[2,3,4-tris(2-oxido-2-oxoethyl)-1,2,3,4-tetrazacyclotetradec-1-yl]acetate IUPAC Name: 2-[2,3,4-tris(2-oxido-2-oxoethyl)-1,2,3,4-tetrazacyclotetradec-1-yl]acetate Traditional Name: 2-[2,3,4-tris(2-keto-2-oxido-ethyl)-1,2,3,4-tetrazacyclotetradec-1-yl]acetate Formula: C18H28N4O8-4 MolecularWeight: 428.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCN(N(N(N(CCCC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1CCCCCN(N(N(N(CCCC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C18H32N4O8/c23-15(24)11-19-9-7-5-3-1-2-4-6-8-10-20(12-16(25)26)22(14-18(29)30)21(19)13-17(27)28/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/p-4