[3-(1-phenylethylamino)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(1-phenylethylamino)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(1-phenylethylamino)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(1-phenylethylamino)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(1-phenylethylamino)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(1-phenylethylamino)-1-phosphono-propyl]phosphonic acid Formula: C11H19NO6P2 MolecularWeight: 323.219182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H19NO6P2/c1-9(10-5-3-2-4-6-10)12-8-7-11(19(13,14)15)20(16,17)18/h2-6,9,11-12H,7-8H2,1H3,(H2,13,14,15)(H2,16,17,18)