4-methylbenzenesulfonate; pyridin-1-ium-2-ol

Systemtic Name: 4-methylbenzenesulfonate; pyridin-1-ium-2-ol Openeye Name: 4-methylbenzenesulfonate; pyridin-1-ium-2-ol CAS Name: 4-methylbenzenesulfonate; 2-pyridin-1-iumol IUPAC Name: 4-methylbenzenesulfonate; pyridin-1-ium-2-ol Traditional Name: pyridin-1-ium-2-ol tosylate Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H5NO/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-1-2-4-6-5/h2-5H,1H3,(H,8,9,10);1-4H,(H,6,7)