[2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [2-(3,4-dichlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-(3,4-dichlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C18H14Cl3N3O5S MolecularWeight: 490.74486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl3N3O5S/c1-10(2)16-9-18(23(22-16)11-3-5-13(19)15(21)7-11)29-30(27,28)12-4-6-14(20)17(8-12)24(25)26/h3-10H,1-2H3