3-[(2-chloranyl-4-octoxy-phenyl)methylamino]propylphosphonic acid

Systemtic Name: 3-[(2-chloranyl-4-octoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(2-chloro-4-octoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(2-chloro-4-octoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(2-chloro-4-octoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(2-chloro-4-octoxy-benzyl)amino]propylphosphonic acid Formula: C18H31ClNO4P MolecularWeight: 391.869801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)CNCCCP(=O)(O)O)Cl

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)CNCCCP(=O)(O)O)Cl

InChI

InChI=1S/C18H31ClNO4P/c1-2-3-4-5-6-7-12-24-17-10-9-16(18(19)14-17)15-20-11-8-13-25(21,22)23/h9-10,14,20H,2-8,11-13,15H2,1H3,(H2,21,22,23)