4-methylbenzenesulfonate; 2,3,5-trimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 2,3,5-trimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 2,3,5-trimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium CAS Name: 4-methylbenzenesulfonate; 2,3,5-trimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 2,3,5-trimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium Traditional Name: 2,3,5-trimethyl-2,3-dihydro-1,3-benzoselenazol-3-ium tosylate Formula: C17H21NO3SSe MolecularWeight: 398.37854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NSe.C7H8O3S/c1-7-4-5-10-9(6-7)11(3)8(2)12-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8H,1-3H3;2-5H,1H3,(H,8,9,10)