4-methylbenzenesulfonate; (1-methyl-2,1,3-benzoselenadiazol-1-ium-5-yl)-phenyl-methanone; (3-methyl-2,1,3-benzoselenadiazol-3-ium-5-yl)-phenyl-methanone

Systemtic Name: 4-methylbenzenesulfonate; (1-methyl-2,1,3-benzoselenadiazol-1-ium-5-yl)-phenyl-methanone; (3-methyl-2,1,3-benzoselenadiazol-3-ium-5-yl)-phenyl-methanone Openeye Name: 4-methylbenzenesulfonate; (1-methyl-2,1,3-benzoselenadiazol-1-ium-5-yl)-phenyl-methanone; (3-methyl-2,1,3-benzoselenadiazol-3-ium-5-yl)-phenyl-methanone CAS Name: 4-methylbenzenesulfonate; (1-methyl-2,1,3-benzoselenadiazol-1-ium-5-yl)-phenylmethanone; (3-methyl-2,1,3-benzoselenadiazol-3-ium-5-yl)-phenylmethanone IUPAC Name: 4-methylbenzenesulfonate; (1-methyl-2,1,3-benzoselenadiazol-1-ium-5-yl)-phenylmethanone; (3-methyl-2,1,3-benzoselenadiazol-3-ium-5-yl)-phenylmethanone Traditional Name: (1-methylpiaselenol-1-ium-5-yl)-phenyl-methanone; (3-methylpiaselenol-3-ium-5-yl)-phenyl-methanone; tosylate Formula: C35H29N4O5SSe2+ MolecularWeight: 775.61356

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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)C(=O)C3=CC=CC=C3.C[N+]1=C2C=C(C=CC2=N[Se]1)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC(=CC2=N[Se]1)C(=O)C3=CC=CC=C3.C[N+]1=C2C=C(C=CC2=N[Se]1)C(=O)C3=CC=CC=C3

InChI

InChI=1S/2C14H11N2OSe.C7H8O3S/c1-16-13-8-7-11(9-12(13)15-18-16)14(17)10-5-3-2-4-6-10;1-16-13-9-11(7-8-12(13)15-18-16)14(17)10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2*2-9H,1H3;2-5H,1H3,(H,8,9,10)/q2*+1;/p-1