[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl] quinoline-8-sulfonate

Systemtic Name: [2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl] quinoline-8-sulfonate Openeye Name: [2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [2-(2,4-dichlorophenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid [2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl] ester Formula: C19H13Cl2N3O3S MolecularWeight: 434.29582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H13Cl2N3O3S/c1-12-10-18(24(23-12)16-8-7-14(20)11-15(16)21)27-28(25,26)17-6-2-4-13-5-3-9-22-19(13)17/h2-11H,1H3