diethyl-[1-(4-methylphenyl)sulfonyloxyethylidene]azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-[1-(4-methylphenyl)sulfonyloxyethylidene]azanium; 4-methylbenzenesulfonate Openeye Name: diethyl-[1-(p-tolylsulfonyloxy)ethylidene]ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-[1-(4-methylphenyl)sulfonyloxyethylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: diethyl-[1-(4-methylphenyl)sulfonyloxyethylidene]azanium; 4-methylbenzenesulfonate Traditional Name: diethyl(1-tosyloxyethylidene)ammonium tosylate Formula: C20H27NO6S2 MolecularWeight: 441.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C(C)OS(=O)(=O)C1=CC=C(C=C1)C)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](=C(C)OS(=O)(=O)C1=CC=C(C=C1)C)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H20NO3S.C7H8O3S/c1-5-14(6-2)12(4)17-18(15,16)13-9-7-11(3)8-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h7-10H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1