[2-[methyl(4-phenoxybutyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[methyl(4-phenoxybutyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[methyl(4-phenoxybutyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[methyl(4-phenoxybutyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[methyl(4-phenoxybutyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[methyl(4-phenoxybutyl)amino]-1-phosphono-propyl]phosphonic acid Formula: C14H25NO8P2 MolecularWeight: 397.297722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCCOC1=CC=CC=C1

Isomeric SMILES

CC(C(O)(P(=O)(O)O)P(=O)(O)O)N(C)CCCCOC1=CC=CC=C1

InChI

InChI=1S/C14H25NO8P2/c1-12(14(16,24(17,18)19)25(20,21)22)15(2)10-6-7-11-23-13-8-4-3-5-9-13/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3,(H2,17,18,19)(H2,20,21,22)