2-[2,5-bis(chloranyl)-4-sulfo-phenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-[2,5-bis(chloranyl)-4-sulfo-phenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(2,5-dichloro-4-sulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(2,5-dichloro-4-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(2,5-dichloro-4-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(2,5-dichloro-4-sulfo-phenyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C10H6Cl2N2O6S MolecularWeight: 353.13544

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)N2C(=O)C=C(N2)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)N2C(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C10H6Cl2N2O6S/c11-4-2-8(21(18,19)20)5(12)1-7(4)14-9(15)3-6(13-14)10(16)17/h1-3,13H,(H,16,17)(H,18,19,20)