5-(5-acetamido-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid

Systemtic Name: 5-(5-acetamido-3-oxidanylidene-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Openeye Name: 5-(5-acetamido-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid CAS Name: 5-(5-acetamido-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid IUPAC Name: 5-(5-acetamido-3-oxo-1H-pyrazol-2-yl)benzene-1,3-disulfonic acid Traditional Name: 5-(3-acetamido-5-keto-3-pyrazolin-1-yl)benzene-1,3-disulfonic acid Formula: C11H11N3O8S2 MolecularWeight: 377.35034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=O)N(N1)C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=O)N(N1)C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H11N3O8S2/c1-6(15)12-10-5-11(16)14(13-10)7-2-8(23(17,18)19)4-9(3-7)24(20,21)22/h2-5,13H,1H3,(H,12,15)(H,17,18,19)(H,20,21,22)