4-[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonylbenzoic acid

Systemtic Name: 4-[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonylbenzoic acid Openeye Name: 4-[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonylbenzoic acid CAS Name: 4-[[2-(2,4-dichlorophenyl)-5-methyl-3-pyrazolyl]oxysulfonyl]benzoic acid IUPAC Name: 4-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxysulfonylbenzoic acid Traditional Name: 4-[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonylbenzoic acid Formula: C17H12Cl2N2O5S MolecularWeight: 427.25858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H12Cl2N2O5S/c1-10-8-16(21(20-10)15-7-4-12(18)9-14(15)19)26-27(24,25)13-5-2-11(3-6-13)17(22)23/h2-9H,1H3,(H,22,23)