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

Systemtic Name: 3-[(3-bromanyl-4-octoxy-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(3-bromo-4-octoxy-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[(3-bromo-4-octoxyphenyl)methylamino]propylphosphonic acid IUPAC Name: 3-[(3-bromo-4-octoxyphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(3-bromo-4-octoxy-benzyl)amino]propylphosphonic acid Formula: C18H31BrNO4P MolecularWeight: 436.320801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31BrNO4P/c1-2-3-4-5-6-7-12-24-18-10-9-16(14-17(18)19)15-20-11-8-13-25(21,22)23/h9-10,14,20H,2-8,11-13,15H2,1H3,(H2,21,22,23)