2-[5-(2-hydroxyethylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[5-(2-hydroxyethylcarbamoyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Openeye Name: 2-[5-(2-hydroxyethylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid CAS Name: 2-[5-[(2-hydroxyethylamino)-oxomethyl]-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid IUPAC Name: 2-[5-(2-hydroxyethylcarbamoyl)-3-oxo-1H-pyrazol-2-yl]benzene-1,4-disulfonic acid Traditional Name: 2-[3-(2-hydroxyethylcarbamoyl)-5-keto-3-pyrazolin-1-yl]benzene-1,4-disulfonic acid Formula: C12H13N3O9S2 MolecularWeight: 407.37632

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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)NCCO)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O9S2/c16-4-3-13-12(18)8-6-11(17)15(14-8)9-5-7(25(19,20)21)1-2-10(9)26(22,23)24/h1-2,5-6,14,16H,3-4H2,(H,13,18)(H,19,20,21)(H,22,23,24)