1,4-dihexadecyl-1H-imidazol-1-ium; 2-oxidanylbenzoate

Systemtic Name: 1,4-dihexadecyl-1H-imidazol-1-ium; 2-oxidanylbenzoate Openeye Name: 1,4-dihexadecyl-1H-imidazol-1-ium; 2-hydroxybenzoate CAS Name: 1,4-dihexadecyl-1H-imidazol-1-ium; 2-hydroxybenzoate IUPAC Name: 1,4-dihexadecyl-1H-imidazol-1-ium; 2-hydroxybenzoate Traditional Name: 1,4-dicetyl-1H-imidazol-1-ium; salicylate Formula: C42H74N2O3 MolecularWeight: 655.04856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C[NH+](C=N1)CCCCCCCCCCCCCCCC.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C[NH+](C=N1)CCCCCCCCCCCCCCCC.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C35H68N2.C7H6O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33-37(34-36-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-6-4-2-1-3-5(6)7(9)10/h33-34H,3-32H2,1-2H3;1-4,8H,(H,9,10)