4-methylbenzenesulfonate; trimethyl-[(2,2,4,6,7-pentamethyl-5-oxidanyl-3H-1-benzofuran-3-yl)methyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[(2,2,4,6,7-pentamethyl-5-oxidanyl-3H-1-benzofuran-3-yl)methyl]azanium Openeye Name: (5-hydroxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: (5-hydroxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: (5-hydroxy-2,2,4,6,7-pentamethyl-3H-1-benzofuran-3-yl)methyl-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: (5-hydroxy-2,2,4,6,7-pentamethyl-coumaran-3-yl)methyl-trimethyl-ammonium tosylate Formula: C24H35NO5S MolecularWeight: 449.6034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C2C(C(OC2=C1C)(C)C)C[N+](C)(C)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=C2C(C(OC2=C1C)(C)C)C[N+](C)(C)C)C)O

InChI

InChI=1S/C17H27NO2.C7H8O3S/c1-10-11(2)16-14(12(3)15(10)19)13(9-18(6,7)8)17(4,5)20-16;1-6-2-4-7(5-3-6)11(8,9)10/h13H,9H2,1-8H3;2-5H,1H3,(H,8,9,10)