[4-(2-phenoxyethylamino)-2-phosphono-butan-2-yl]phosphonic acid

Systemtic Name: [4-(2-phenoxyethylamino)-2-phosphono-butan-2-yl]phosphonic acid Openeye Name: [1-methyl-3-(2-phenoxyethylamino)-1-phosphono-propyl]phosphonic acid CAS Name: [4-(2-phenoxyethylamino)-2-phosphonobutan-2-yl]phosphonic acid IUPAC Name: [4-(2-phenoxyethylamino)-2-phosphonobutan-2-yl]phosphonic acid Traditional Name: [1-methyl-3-(2-phenoxyethylamino)-1-phosphono-propyl]phosphonic acid Formula: C12H21NO7P2 MolecularWeight: 353.245162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCCOC1=CC=CC=C1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(CCNCCOC1=CC=CC=C1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H21NO7P2/c1-12(21(14,15)16,22(17,18)19)7-8-13-9-10-20-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H2,14,15,16)(H2,17,18,19)