3-dotriacontan-13-yl-1H-imidazol-3-ium; 2-oxidanylbenzoate

Systemtic Name: 3-dotriacontan-13-yl-1H-imidazol-3-ium; 2-oxidanylbenzoate Openeye Name: 3-(1-dodecylicosyl)-1H-imidazol-3-ium; 2-hydroxybenzoate CAS Name: 3-dotriacontan-13-yl-1H-imidazol-3-ium; 2-hydroxybenzoate IUPAC Name: 3-dotriacontan-13-yl-1H-imidazol-3-ium; 2-hydroxybenzoate Traditional Name: 3-(1-lauryleicosyl)-1H-imidazol-3-ium; salicylate Formula: C42H74N2O3 MolecularWeight: 655.04856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)[N+]1=CNC=C1.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)[N+]1=CNC=C1.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C35H68N2.C7H6O3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(37-33-32-36-34-37)30-28-26-24-22-14-12-10-8-6-4-2;8-6-4-2-1-3-5(6)7(9)10/h32-35H,3-31H2,1-2H3;1-4,8H,(H,9,10)