sodium 2,5-bis(chloranyl)-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate

Systemtic Name: sodium 2,5-bis(chloranyl)-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: sodium 2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate CAS Name: sodium 2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: sodium 2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: sodium 2,5-dichloro-4-(5-keto-3-methyl-2-pyrazolin-1-yl)besylate Formula: C10H7Cl2N2NaO4S MolecularWeight: 345.13435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC(=C(C=C2Cl)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC(=C(C=C2Cl)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C10H8Cl2N2O4S.Na/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18;/h3-4H,2H2,1H3,(H,16,17,18);/q;+1/p-1