1-[(2,4-disulfophenyl)methyl]-5-oxidanylidene-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2,4-disulfophenyl)methyl]-5-oxidanylidene-4H-pyrazole-3-carboxylic acid Openeye Name: 1-[(2,4-disulfophenyl)methyl]-5-oxo-4H-pyrazole-3-carboxylic acid CAS Name: 1-[(2,4-disulfophenyl)methyl]-5-oxo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-[(2,4-disulfophenyl)methyl]-5-oxo-4H-pyrazole-3-carboxylic acid Traditional Name: 1-(2,4-disulfobenzyl)-5-keto-2-pyrazoline-3-carboxylic acid Formula: C11H10N2O9S2 MolecularWeight: 378.3351

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)CC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(=NN(C1=O)CC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C11H10N2O9S2/c14-10-4-8(11(15)16)12-13(10)5-6-1-2-7(23(17,18)19)3-9(6)24(20,21)22/h1-3H,4-5H2,(H,15,16)(H,17,18,19)(H,20,21,22)