5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(5-methyl-3-phenyl-1H-pyrazol-2-ium-2-yl)-2-phenoxy-besylic acid Formula: C22H19N2O4S+ MolecularWeight: 407.46226

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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)C4=CC=CC=C4

Isomeric SMILES

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/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/h2-15H,1H3,(H,25,26,27)/p+1