1-butyl-3-methyl-imidazol-3-ium; 3-diphenylphosphanylbenzenesulfonate

Systemtic Name: 1-butyl-3-methyl-imidazol-3-ium; 3-diphenylphosphanylbenzenesulfonate Openeye Name: 1-butyl-3-methyl-imidazol-3-ium; 3-diphenylphosphanylbenzenesulfonate CAS Name: 1-butyl-3-methylimidazol-3-ium; 3-diphenylphosphinobenzenesulfonate IUPAC Name: 1-butyl-3-methylimidazol-3-ium; 3-diphenylphosphanylbenzenesulfonate Traditional Name: 1-butyl-3-methyl-imidazol-3-ium; 3-diphenylphosphinobesylate Formula: C26H29N2O3PS MolecularWeight: 480.558821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C18H15O3PS.C8H15N2/c19-23(20,21)18-13-7-12-17(14-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;1-3-4-5-10-7-6-9(2)8-10/h1-14H,(H,19,20,21);6-8H,3-5H2,1-2H3/q;+1/p-1