2-(5-azanyl-3-methyl-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-(5-azanyl-3-methyl-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-(5-amino-3-methyl-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-(5-amino-3-methyl-1-pyrazolyl)-4-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-(5-amino-3-methylpyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-(5-amino-3-methyl-pyrazol-1-yl)-4-(trioxidanylthio)besylic acid Formula: C10H11N3O6S2 MolecularWeight: 333.34084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N)C2=C(C=CC(=C2)SOOO)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=C1)N)C2=C(C=CC(=C2)SOOO)S(=O)(=O)O

InChI

InChI=1S/C10H11N3O6S2/c1-6-4-10(11)13(12-6)8-5-7(20-19-18-14)2-3-9(8)21(15,16)17/h2-5,14H,11H2,1H3,(H,15,16,17)