2-[[4-[[bis(phosphonomethyl)amino]methyl]phenyl]methyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[[bis(phosphonomethyl)amino]methyl]phenyl]methyl-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[[bis(phosphonomethyl)amino]methyl]phenyl]methyl-methyl-amino]acetic acid CAS Name: 2-[[4-[[bis(phosphonomethyl)amino]methyl]phenyl]methyl-methylamino]acetic acid IUPAC Name: 2-[[4-[[bis(phosphonomethyl)amino]methyl]phenyl]methyl-methylamino]acetic acid Traditional Name: 2-[[4-[[bis(phosphonomethyl)amino]methyl]benzyl]-methyl-amino]acetic acid Formula: C13H22N2O8P2 MolecularWeight: 396.269902

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)CN(CP(=O)(O)O)CP(=O)(O)O)CC(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)CN(CP(=O)(O)O)CP(=O)(O)O)CC(=O)O

InChI

InChI=1S/C13H22N2O8P2/c1-14(8-13(16)17)6-11-2-4-12(5-3-11)7-15(9-24(18,19)20)10-25(21,22)23/h2-5H,6-10H2,1H3,(H,16,17)(H2,18,19,20)(H2,21,22,23)