3,5-dicyanato-2-methyl-benzenesulfonate

Systemtic Name: 3,5-dicyanato-2-methyl-benzenesulfonate Openeye Name: 3,5-dicyanato-2-methyl-benzenesulfonate CAS Name: 3,5-dicyanato-2-methylbenzenesulfonate IUPAC Name: 3,5-dicyanato-2-methylbenzenesulfonate Traditional Name: 3,5-dicyanato-2-methyl-besylate Formula: C9H5N2O5S- MolecularWeight: 253.2114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)[O-])OC#N)OC#N

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)[O-])OC#N)OC#N

InChI

InChI=1S/C9H6N2O5S/c1-6-8(16-5-11)2-7(15-4-10)3-9(6)17(12,13)14/h2-3H,1H3,(H,12,13,14)/p-1