2-[4,7,10-tris(carboxymethyl)-1,4,7-triaza-10-azoniacyclotetradec-9-en-1-yl]ethanoic acid

Systemtic Name: 2-[4,7,10-tris(carboxymethyl)-1,4,7-triaza-10-azoniacyclotetradec-9-en-1-yl]ethanoic acid Openeye Name: 2-[4,7,10-tris(carboxymethyl)-1,4,7-triaza-10-azoniacyclotetradec-9-en-1-yl]acetic acid CAS Name: 2-[4,7,10-tris(carboxymethyl)-1,4,7-triaza-10-azoniacyclotetradec-9-en-1-yl]acetic acid IUPAC Name: 2-[4,7,10-tris(carboxymethyl)-1,4,7-triaza-10-azoniacyclotetradec-9-en-1-yl]acetic acid Traditional Name: 2-[4,7,10-tris(carboxymethyl)-1,4,7-triaza-10-azoniacyclotetradec-9-en-1-yl]acetic acid Formula: C18H31N4O8+ MolecularWeight: 431.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=CCN(CCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CC[N+](=CCN(CCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C18H30N4O8/c23-15(24)11-19-3-1-2-4-20(12-16(25)26)6-8-22(14-18(29)30)10-9-21(7-5-19)13-17(27)28/h5H,1-4,6-14H2,(H3-,23,24,25,26,27,28,29,30)/p+1