4-[4,4-bis(bromanyl)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[4,4-bis(bromanyl)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-(4,4-dibromo-3-methyl-5-oxo-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(4,4-dibromo-3-methyl-5-oxo-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(4,4-dibromo-3-methyl-5-oxopyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(4,4-dibromo-5-keto-3-methyl-2-pyrazolin-1-yl)besylic acid Formula: C10H8Br2N2O4S MolecularWeight: 412.05452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8Br2N2O4S/c1-6-10(11,12)9(15)14(13-6)7-2-4-8(5-3-7)19(16,17)18/h2-5H,1H3,(H,16,17,18)