2-(2-chloranyl-5-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(2-chloranyl-5-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(2-chloro-5-sulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(2-chloro-5-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(2-chloro-5-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(2-chloro-5-sulfo-phenyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C10H7ClN2O6S MolecularWeight: 318.69038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O)Cl

InChI

InChI=1S/C10H7ClN2O6S/c11-6-2-1-5(20(17,18)19)3-8(6)13-9(14)4-7(12-13)10(15)16/h1-4,12H,(H,15,16)(H,17,18,19)