4-methylbenzenesulfonate; pyrimidin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; pyrimidin-1-ium Openeye Name: 4-methylbenzenesulfonate; pyrimidin-1-ium CAS Name: 4-methylbenzenesulfonate; pyrimidin-1-ium IUPAC Name: 4-methylbenzenesulfonate; pyrimidin-1-ium Traditional Name: pyrimidin-1-ium tosylate Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H4N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-5-4-6-3-1/h2-5H,1H3,(H,8,9,10);1-4H