[2-(4-chlorophenyl)-5-propyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [2-(4-chlorophenyl)-5-propyl-pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [2-(4-chlorophenyl)-5-propyl-pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [2-(4-chlorophenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(4-chlorophenyl)-5-propylpyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [2-(4-chlorophenyl)-5-propyl-pyrazol-3-yl] ester Formula: C18H15Cl2N3O5S MolecularWeight: 456.2998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=NN(C(=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15Cl2N3O5S/c1-2-3-13-10-18(22(21-13)14-6-4-12(19)5-7-14)28-29(26,27)15-8-9-16(20)17(11-15)23(24)25/h4-11H,2-3H2,1H3