1,2-dimethyl-1$l^{3},3-benzoselenazol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,2-dimethyl-1$l^{3},3-benzoselenazol-3-ium; 4-methylbenzenesulfonate Openeye Name: 1,2-dimethyl-1$l^{3},3-benzoselenazol-3-ium; 4-methylbenzenesulfonate CAS Name: 1,2-dimethyl-1$l^{3},3-benzoselenazol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 1,2-dimethyl-1$l^{3},3-benzoselenazol-3-ium; 4-methylbenzenesulfonate Traditional Name: 1,2-dimethyl-1$l^{3},3-benzoselenazol-3-ium tosylate Formula: C16H18NO3SSe MolecularWeight: 383.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[NH+]C2=CC=CC=C2[Se]1C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[NH+]C2=CC=CC=C2[Se]1C

InChI

InChI=1S/C9H10NSe.C7H8O3S/c1-7-10-8-5-3-4-6-9(8)11(7)2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)