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3-[(3-ethoxy-4-octoxy-phenyl)methylamino]propylphosphonic acid

3-[(3-ethoxy-4-octoxy-phenyl)methylamino]propylphosphonic acid

Systemtic Name:3-[(3-ethoxy-4-octoxy-phenyl)methylamino]propylphosphonic acid
Openeye Name:3-[(3-ethoxy-4-octoxy-phenyl)methylamino]propylphosphonic acid
CAS Name:3-[(3-ethoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
IUPAC Name:3-[(3-ethoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
Traditional Name:3-[(3-ethoxy-4-octoxy-benzyl)amino]propylphosphonic acid
Formula: C20H36NO5P
MolecularWeight: 401.477301
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CNCCCP(=O)(O)O)OCC


Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CNCCCP(=O)(O)O)OCC


InChI

InChI=1S/C20H36NO5P/c1-3-5-6-7-8-9-14-26-19-12-11-18(16-20(19)25-4-2)17-21-13-10-15-27(22,23)24/h11-12,16,21H,3-10,13-15,17H2,1-2H3,(H2,22,23,24)


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