[1-oxidanyl-2-[3-phenoxypropyl(propyl)amino]-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-oxidanyl-2-[3-phenoxypropyl(propyl)amino]-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-2-[3-phenoxypropyl(propyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-2-[3-phenoxypropyl(propyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[3-phenoxypropyl(propyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-2-[3-phenoxypropyl(propyl)amino]-1-phosphono-propyl]phosphonic acid Formula: C15H27NO8P2 MolecularWeight: 411.324302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCOC1=CC=CC=C1)C(C)C(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCN(CCCOC1=CC=CC=C1)C(C)C(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H27NO8P2/c1-3-10-16(11-7-12-24-14-8-5-4-6-9-14)13(2)15(17,25(18,19)20)26(21,22)23/h4-6,8-9,13,17H,3,7,10-12H2,1-2H3,(H2,18,19,20)(H2,21,22,23)