[2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-(methoxymethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] ester Formula: C17H13Cl3N2O4S MolecularWeight: 447.72012

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl3N2O4S/c1-25-10-12-8-17(22(21-12)13-4-7-15(19)16(20)9-13)26-27(23,24)14-5-2-11(18)3-6-14/h2-9H,10H2,1H3