2-[2,3-bis(carboxymethyl)-1,2,3-triazacyclododec-6-yl]ethanoic acid

Systemtic Name: 2-[2,3-bis(carboxymethyl)-1,2,3-triazacyclododec-6-yl]ethanoic acid Openeye Name: 2-[2,3-bis(carboxymethyl)-1,2,3-triazacyclododec-6-yl]acetic acid CAS Name: 2-[2,3-bis(carboxymethyl)-1,2,3-triazacyclododec-6-yl]acetic acid IUPAC Name: 2-[2,3-bis(carboxymethyl)-1,2,3-triazacyclododec-6-yl]acetic acid Traditional Name: 2-[2,3-bis(carboxymethyl)-1,2,3-triazacyclododec-6-yl]acetic acid Formula: C15H27N3O6 MolecularWeight: 345.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCNN(N(CCC(CC1)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CCCNN(N(CCC(CC1)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C15H27N3O6/c19-13(20)9-12-5-3-1-2-4-7-16-18(11-15(23)24)17(8-6-12)10-14(21)22/h12,16H,1-11H2,(H,19,20)(H,21,22)(H,23,24)