(5-methyl-2-phenyl-pyrazol-3-yl) 2-chloranyl-5-nitro-benzenesulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 2-chloro-5-nitro-benzenesulfonate CAS Name: 2-chloro-5-nitrobenzenesulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 2-chloro-5-nitrobenzenesulfonate Traditional Name: 2-chloro-5-nitro-benzenesulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O5S/c1-11-9-16(19(18-11)12-5-3-2-4-6-12)25-26(23,24)15-10-13(20(21)22)7-8-14(15)17/h2-10H,1H3