4-chloranyl-3-(3-methylpyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-chloranyl-3-(3-methylpyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-chloro-3-(3-methylpyrazol-1-yl)benzenesulfonic acid CAS Name: 4-chloro-3-(3-methyl-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-chloro-3-(3-methylpyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-chloro-3-(3-methylpyrazol-1-yl)besylic acid Formula: C10H9ClN2O3S MolecularWeight: 272.70806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=NN(C=C1)C2=C(C=CC(=C2)S(=O)(=O)O)Cl

InChI

InChI=1S/C10H9ClN2O3S/c1-7-4-5-13(12-7)10-6-8(17(14,15)16)2-3-9(10)11/h2-6H,1H3,(H,14,15,16)