4-methylbenzenesulfonate; 3-methyl-2,1,3-benzoselenadiazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-methyl-2,1,3-benzoselenadiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-methyl-2,1,3-benzoselenadiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-methyl-2,1,3-benzoselenadiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-2,1,3-benzoselenadiazol-3-ium Traditional Name: 1-methylpiaselenol-1-ium tosylate Formula: C14H14N2O3SSe MolecularWeight: 369.29756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CC2=N[Se]1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CC2=N[Se]1

InChI

InChI=1S/C7H7N2Se.C7H8O3S/c1-9-7-5-3-2-4-6(7)8-10-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1