[2-[methyl(6-phenoxyhexyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[methyl(6-phenoxyhexyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[methyl(6-phenoxyhexyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[methyl(6-phenoxyhexyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[methyl(6-phenoxyhexyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[methyl(6-phenoxyhexyl)amino]-1-phosphono-propyl]phosphonic acid Formula: C16H29NO8P2 MolecularWeight: 425.350882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCCCCOC1=CC=CC=C1

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C16H29NO8P2/c1-14(16(18,26(19,20)21)27(22,23)24)17(2)12-8-3-4-9-13-25-15-10-6-5-7-11-15/h5-7,10-11,14,18H,3-4,8-9,12-13H2,1-2H3,(H2,19,20,21)(H2,22,23,24)