2-chloranyl-5-(5-methyl-2-phenyl-pyrazol-3-yl)oxysulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-(5-methyl-2-phenyl-pyrazol-3-yl)oxysulfonyl-benzoic acid Openeye Name: 2-chloro-5-(5-methyl-2-phenyl-pyrazol-3-yl)oxysulfonyl-benzoic acid CAS Name: 2-chloro-5-[(5-methyl-2-phenyl-3-pyrazolyl)oxysulfonyl]benzoic acid IUPAC Name: 2-chloro-5-(5-methyl-2-phenylpyrazol-3-yl)oxysulfonylbenzoic acid Traditional Name: 2-chloro-5-(5-methyl-2-phenyl-pyrazol-3-yl)oxysulfonyl-benzoic acid Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O5S/c1-11-9-16(20(19-11)12-5-3-2-4-6-12)25-26(23,24)13-7-8-15(18)14(10-13)17(21)22/h2-10H,1H3,(H,21,22)