[2-[2,5-bis(chloranyl)phenyl]-5-methyl-pyrazol-3-yl] 4-ethyl-3-nitro-benzenesulfonate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-5-methyl-pyrazol-3-yl] 4-ethyl-3-nitro-benzenesulfonate Openeye Name: [2-(2,5-dichlorophenyl)-5-methyl-pyrazol-3-yl] 4-ethyl-3-nitro-benzenesulfonate CAS Name: 4-ethyl-3-nitrobenzenesulfonic acid [2-(2,5-dichlorophenyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-5-methylpyrazol-3-yl] 4-ethyl-3-nitrobenzenesulfonate Traditional Name: 4-ethyl-3-nitro-benzenesulfonic acid [2-(2,5-dichlorophenyl)-5-methyl-pyrazol-3-yl] ester Formula: C18H15Cl2N3O5S MolecularWeight: 456.2998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=C(C=CC(=C3)Cl)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=C(C=CC(=C3)Cl)Cl)C)[N+](=O)[O-]

InChI

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