2-chloranylpyridin-1-ium; 2-methylbenzenesulfonate; 4-methylbenzenesulfonic acid

Systemtic Name: 2-chloranylpyridin-1-ium; 2-methylbenzenesulfonate; 4-methylbenzenesulfonic acid Openeye Name: 2-chloropyridin-1-ium; 2-methylbenzenesulfonate; 4-methylbenzenesulfonic acid CAS Name: 2-chloropyridin-1-ium; 2-methylbenzenesulfonate; 4-methylbenzenesulfonic acid IUPAC Name: 2-chloropyridin-1-ium; 2-methylbenzenesulfonate; 4-methylbenzenesulfonic acid Traditional Name: 2-chloropyridin-1-ium; 2-methylbesylate; tosylic acid Formula: C19H20ClNO6S2 MolecularWeight: 457.9482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=[NH+]C(=C1)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=[NH+]C(=C1)Cl

InChI

InChI=1S/2C7H8O3S.C5H4ClN/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-4-2-3-5-7(6)11(8,9)10;6-5-3-1-2-4-7-5/h2*2-5H,1H3,(H,8,9,10);1-4H