[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl] 3-nitrobenzenesulfonate

Systemtic Name: [2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl] 3-nitrobenzenesulfonate Openeye Name: [2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [2-(2,4-dichlorophenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl] ester Formula: C16H11Cl2N3O5S MolecularWeight: 428.24664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H11Cl2N3O5S/c1-10-7-16(20(19-10)15-6-5-11(17)8-14(15)18)26-27(24,25)13-4-2-3-12(9-13)21(22)23/h2-9H,1H3