3-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]benzoic acid

Systemtic Name: 3-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]benzoic acid Openeye Name: 3-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]benzoic acid CAS Name: 3-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]benzoic acid IUPAC Name: 3-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]benzoic acid Traditional Name: 3-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]benzoic acid Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)O

InChI

InChI=1S/C16H20N2O8/c19-13(20)8-17(4-5-18(9-14(21)22)10-15(23)24)7-11-2-1-3-12(6-11)16(25)26/h1-3,6H,4-5,7-10H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)