[2-(4-aminophenyl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4-aminophenyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-aminophenyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-aminophenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-aminophenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-aminophenyl)-1-phosphono-ethyl]phosphonic acid Formula: C8H13NO6P2 MolecularWeight: 281.139442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(P(=O)(O)O)P(=O)(O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC(P(=O)(O)O)P(=O)(O)O)N

InChI

InChI=1S/C8H13NO6P2/c9-7-3-1-6(2-4-7)5-8(16(10,11)12)17(13,14)15/h1-4,8H,5,9H2,(H2,10,11,12)(H2,13,14,15)