5-[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonyl-2-fluoro-benzoic acid CAS Name: 5-[[2-(2,4-dichlorophenyl)-5-methyl-3-pyrazolyl]oxysulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxysulfonyl-2-fluorobenzoic acid Traditional Name: 5-[2-(2,4-dichlorophenyl)-5-methyl-pyrazol-3-yl]oxysulfonyl-2-fluoro-benzoic acid Formula: C17H11Cl2FN2O5S MolecularWeight: 445.249043

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H11Cl2FN2O5S/c1-9-6-16(22(21-9)15-5-2-10(18)7-13(15)19)27-28(25,26)11-3-4-14(20)12(8-11)17(23)24/h2-8H,1H3,(H,23,24)