4-methylbenzenesulfonate; pyridin-1-ium; iodide

Systemtic Name: 4-methylbenzenesulfonate; pyridin-1-ium; iodide Openeye Name: 4-methylbenzenesulfonate; pyridin-1-ium; iodide CAS Name: 4-methylbenzenesulfonate; pyridin-1-ium; iodide IUPAC Name: 4-methylbenzenesulfonate; pyridin-1-ium; iodide Traditional Name: pyridin-1-ium iodide tosylate Formula: C12H13INO3S- MolecularWeight: 378.20599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H5N.HI/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1;/h2-5H,1H3,(H,8,9,10);1-5H;1H/p-1