4-(2,3-dimethyl-4-nitroso-5-oxidanylidene-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(2,3-dimethyl-4-nitroso-5-oxidanylidene-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(2,3-dimethyl-4-nitroso-5-oxo-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(2,3-dimethyl-4-nitroso-5-oxo-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(2,3-dimethyl-4-nitroso-5-oxopyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(5-keto-2,3-dimethyl-4-nitroso-3-pyrazolin-1-yl)besylic acid Formula: C11H11N3O5S MolecularWeight: 297.28714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)O)N=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)O)N=O

InChI

InChI=1S/C11H11N3O5S/c1-7-10(12-16)11(15)14(13(7)2)8-3-5-9(6-4-8)20(17,18)19/h3-6H,1-2H3,(H,17,18,19)