[3-[ethyl(3-phenoxypropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[ethyl(3-phenoxypropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[ethyl(3-phenoxypropyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[ethyl(3-phenoxypropyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[ethyl(3-phenoxypropyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[ethyl(3-phenoxypropyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C14H25NO8P2 MolecularWeight: 397.297722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCOC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCN(CCCOC1=CC=CC=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

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