2-[3-methyl-5-(methylsulfanylperoxyamino)pyrazol-1-yl]-4-oxidanylsulfanyloxy-benzenesulfonic acid

Systemtic Name: 2-[3-methyl-5-(methylsulfanylperoxyamino)pyrazol-1-yl]-4-oxidanylsulfanyloxy-benzenesulfonic acid Openeye Name: 4-hydroxysulfanyloxy-2-[3-methyl-5-(methylsulfanylperoxyamino)pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-(hydroxythio)oxy-2-[3-methyl-5-[(methylthio)dioxyamino]-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-hydroxysulfanyloxy-2-[3-methyl-5-(methylsulfanylperoxyamino)pyrazol-1-yl]benzenesulfonic acid Traditional Name: 2-[3-methyl-5-[(methylthio)peroxyamino]pyrazol-1-yl]-4-sulfenooxy-besylic acid Formula: C11H13N3O7S3 MolecularWeight: 395.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NOOSC)C2=C(C=CC(=C2)OSO)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=C1)NOOSC)C2=C(C=CC(=C2)OSO)S(=O)(=O)O

InChI

InChI=1S/C11H13N3O7S3/c1-7-5-11(13-20-21-22-2)14(12-7)9-6-8(19-23-15)3-4-10(9)24(16,17)18/h3-6,13,15H,1-2H3,(H,16,17,18)