bis(chloranyl)-(4-oxidanylidene-5-phenyl-pyrazol-3-yl)methanesulfonic acid

Systemtic Name: bis(chloranyl)-(4-oxidanylidene-5-phenyl-pyrazol-3-yl)methanesulfonic acid Openeye Name: dichloro-(4-oxo-5-phenyl-pyrazol-3-yl)methanesulfonic acid CAS Name: dichloro-(4-oxo-5-phenyl-3-pyrazolyl)methanesulfonic acid IUPAC Name: dichloro-(4-oxo-5-phenylpyrazol-3-yl)methanesulfonic acid Traditional Name: dichloro-(4-keto-5-phenyl-pyrazol-3-yl)methanesulfonic acid Formula: C10H6Cl2N2O4S MolecularWeight: 321.13664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6Cl2N2O4S/c11-10(12,19(16,17)18)9-8(15)7(13-14-9)6-4-2-1-3-5-6/h1-5H,(H,16,17,18)