3-(3-azanyl-5-octadecoxy-phenyl)propylphosphonic acid

Systemtic Name: 3-(3-azanyl-5-octadecoxy-phenyl)propylphosphonic acid Openeye Name: 3-(3-amino-5-octadecoxy-phenyl)propylphosphonic acid CAS Name: 3-(3-amino-5-octadecoxyphenyl)propylphosphonic acid IUPAC Name: 3-(3-amino-5-octadecoxyphenyl)propylphosphonic acid Traditional Name: 3-(3-amino-5-stearyloxy-phenyl)propylphosphonic acid Formula: C27H50NO4P MolecularWeight: 483.663961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N)CCCP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)N)CCCP(=O)(O)O

InChI

InChI=1S/C27H50NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-27-23-25(22-26(28)24-27)19-18-21-33(29,30)31/h22-24H,2-21,28H2,1H3,(H2,29,30,31)