2-(3-acetamido-5-oxidanylidene-4H-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-(3-acetamido-5-oxidanylidene-4H-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-4-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-(3-acetamido-5-oxo-4H-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-(3-acetamido-5-keto-2-pyrazolin-1-yl)-4-(trioxidanylthio)besylic acid Formula: C11H11N3O8S2 MolecularWeight: 377.35034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1)C2=C(C=CC(=C2)SOOO)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1)C2=C(C=CC(=C2)SOOO)S(=O)(=O)O

InChI

InChI=1S/C11H11N3O8S2/c1-6(15)12-10-5-11(16)14(13-10)8-4-7(23-22-21-17)2-3-9(8)24(18,19)20/h2-4,17H,5H2,1H3,(H,12,13,15)(H,18,19,20)