2-(4-azanyl-2,5-disulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(4-azanyl-2,5-disulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(4-amino-2,5-disulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(4-amino-2,5-disulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(4-amino-2,5-disulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(4-amino-2,5-disulfo-phenyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C10H9N3O9S2 MolecularWeight: 379.32316

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)O)N)S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)O)N)S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C10H9N3O9S2/c11-4-1-8(24(20,21)22)6(3-7(4)23(17,18)19)13-9(14)2-5(12-13)10(15)16/h1-3,12H,11H2,(H,15,16)(H,17,18,19)(H,20,21,22)