[2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] naphthalene-1-sulfonate

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C21H15F3N2O3S MolecularWeight: 432.41561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H15F3N2O3S/c1-14-6-4-9-16(12-14)26-20(13-19(25-26)21(22,23)24)29-30(27,28)18-11-5-8-15-7-2-3-10-17(15)18/h2-13H,1H3