[[4-(aminomethyl)phenyl]-(phosphonomethyl)amino]methylphosphonic acid

Systemtic Name: [[4-(aminomethyl)phenyl]-(phosphonomethyl)amino]methylphosphonic acid Openeye Name: [4-(aminomethyl)-N-(phosphonomethyl)anilino]methylphosphonic acid CAS Name: [4-(aminomethyl)-N-(phosphonomethyl)anilino]methylphosphonic acid IUPAC Name: [4-(aminomethyl)-N-(phosphonomethyl)anilino]methylphosphonic acid Traditional Name: [4-(aminomethyl)-N-(phosphonomethyl)anilino]methylphosphonic acid Formula: C9H16N2O6P2 MolecularWeight: 310.180662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)N(CP(=O)(O)O)CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN)N(CP(=O)(O)O)CP(=O)(O)O

InChI

InChI=1S/C9H16N2O6P2/c10-5-8-1-3-9(4-2-8)11(6-18(12,13)14)7-19(15,16)17/h1-4H,5-7,10H2,(H2,12,13,14)(H2,15,16,17)