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

Systemtic Name: [2-[butyl(3-phenoxypropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [2-[butyl(3-phenoxypropyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [2-[butyl(3-phenoxypropyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [2-[butyl(3-phenoxypropyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [2-[butyl(3-phenoxypropyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C16H29NO8P2 MolecularWeight: 425.350882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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