methylazanium; methylbenzene; 4-methylbenzenesulfonate

Systemtic Name: methylazanium; methylbenzene; 4-methylbenzenesulfonate Openeye Name: methylammonium; 4-methylbenzenesulfonate; toluene CAS Name: methylammonium; 4-methylbenzenesulfonate; toluene IUPAC Name: methylazanium; 4-methylbenzenesulfonate; toluene Traditional Name: methylammonium; toluene; tosylate Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH3+]

InChI

InChI=1S/C7H8O3S.C7H8.CH5N/c1-6-2-4-7(5-3-6)11(8,9)10;1-7-5-3-2-4-6-7;1-2/h2-5H,1H3,(H,8,9,10);2-6H,1H3;2H2,1H3