ethanol; 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: ethanol; 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonate Openeye Name: ethanol; 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonate CAS Name: ethanol; 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxybenzenesulfonate IUPAC Name: ethanol; 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxybenzenesulfonate Traditional Name: ethanol; 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-besylate Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC1=CC(=[N+](N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCO.CC1=CC(=[N+](N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O4S.C2H6O/c1-16-14-20(17-8-4-2-5-9-17)24(23-16)18-12-13-21(22(15-18)29(25,26)27)28-19-10-6-3-7-11-19;1-2-3/h2-15H,1H3,(H,25,26,27);3H,2H2,1H3