4-methylbenzenesulfonate; 3-methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium

Systemtic Name: 4-methylbenzenesulfonate; 3-methyl-4,5-dihydro-1,2,3-oxadiazol-3-ium Openeye Name: 4-methylbenzenesulfonate; 3-methyl-4,5-dihydrooxadiazol-3-ium CAS Name: 4-methylbenzenesulfonate; 3-methyl-4,5-dihydrooxadiazol-3-ium IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-4,5-dihydrooxadiazol-3-ium Traditional Name: 3-methyl-4,5-dihydrooxadiazol-3-ium tosylate Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=NOCC1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=NOCC1

InChI

InChI=1S/C7H8O3S.C3H7N2O/c1-6-2-4-7(5-3-6)11(8,9)10;1-5-2-3-6-4-5/h2-5H,1H3,(H,8,9,10);2-3H2,1H3/q;+1/p-1