disodium 2-[3-methyl-5-(methylsulfanylperoxyamino)pyrazol-1-yl]-4-sulfenatooxy-benzenesulfonate

Systemtic Name: disodium 2-[3-methyl-5-(methylsulfanylperoxyamino)pyrazol-1-yl]-4-sulfenatooxy-benzenesulfonate Openeye Name: disodium 2-[3-methyl-5-(methylsulfanylperoxyamino)pyrazol-1-yl]-4-sulfenatooxy-benzenesulfonate CAS Name: disodium 2-[3-methyl-5-[(methylthio)dioxyamino]-1-pyrazolyl]-4-sulfenatooxybenzenesulfonate IUPAC Name: disodium 2-[3-methyl-5-(methylsulfanylperoxyamino)pyrazol-1-yl]-4-sulfenatooxybenzenesulfonate Traditional Name: disodium 2-[3-methyl-5-[(methylthio)peroxyamino]pyrazol-1-yl]-4-sulfenatooxy-besylate Formula: C11H11N3Na2O7S3 MolecularWeight: 439.39548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NOOSC)C2=C(C=CC(=C2)OS[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=C1)NOOSC)C2=C(C=CC(=C2)OS[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C11H13N3O7S3.2Na/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);;/q;2*+1/p-2