5-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(3,5-dimethyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-besylate Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S/c1-12-10-13(2)19(18-12)14-8-9-16(17(11-14)24(20,21)22)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21,22)