[2-[(phenylmethyl)amino]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[(phenylmethyl)amino]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(benzylamino)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[(phenylmethyl)amino]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(benzylamino)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(benzylamino)-1-phosphono-ethyl]phosphonic acid Formula: C9H15NO6P2 MolecularWeight: 295.166022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H15NO6P2/c11-17(12,13)9(18(14,15)16)7-10-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,11,12,13)(H2,14,15,16)