(2-methoxy-3-tetradecoxy-phenyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] phosphate

Systemtic Name: (2-methoxy-3-tetradecoxy-phenyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] phosphate Openeye Name: (2-methoxy-3-tetradecoxy-phenyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] phosphate CAS Name: (2-methoxy-3-tetradecoxyphenyl) [3-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl] phosphate IUPAC Name: (2-methoxy-3-tetradecoxyphenyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] phosphate Traditional Name: (2-methoxy-3-myristyloxy-phenyl) [3-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] phosphate Formula: C32H47N2O6P MolecularWeight: 586.699141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)CN3C=C[N+](=C3)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)CN3C=C[N+](=C3)C)OC

InChI

InChI=1S/C32H47N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-24-38-30-20-17-21-31(32(30)37-3)40-41(35,36)39-29-19-16-18-28(25-29)26-34-23-22-33(2)27-34/h16-23,25,27H,4-15,24,26H2,1-3H3