5-chloranyl-1-methyl-2,1,3-benzoselenadiazol-1-ium; 5-chloranyl-3-methyl-2,1,3-benzoselenadiazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 5-chloranyl-1-methyl-2,1,3-benzoselenadiazol-1-ium; 5-chloranyl-3-methyl-2,1,3-benzoselenadiazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 5-chloro-1-methyl-2,1,3-benzoselenadiazol-1-ium; 5-chloro-3-methyl-2,1,3-benzoselenadiazol-3-ium; 4-methylbenzenesulfonate CAS Name: 5-chloro-1-methyl-2,1,3-benzoselenadiazol-1-ium; 5-chloro-3-methyl-2,1,3-benzoselenadiazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 5-chloro-1-methyl-2,1,3-benzoselenadiazol-1-ium; 5-chloro-3-methyl-2,1,3-benzoselenadiazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 5-chloro-1-methyl-piaselenol-1-ium; 6-chloro-1-methyl-piaselenol-1-ium; tosylate Formula: C21H19Cl2N4O3SSe2+ MolecularWeight: 636.29156

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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)Cl.C[N+]1=C2C=C(C=CC2=N[Se]1)Cl

Isomeric SMILES

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

InChI

InChI=1S/2C7H6ClN2Se.C7H8O3S/c1-10-7-3-2-5(8)4-6(7)9-11-10;1-10-7-4-5(8)2-3-6(7)9-11-10;1-6-2-4-7(5-3-6)11(8,9)10/h2*2-4H,1H3;2-5H,1H3,(H,8,9,10)/q2*+1;/p-1