4-methylbenzenesulfonate; pyridin-1-ium; hydrate

Systemtic Name: 4-methylbenzenesulfonate; pyridin-1-ium; hydrate Openeye Name: 4-methylbenzenesulfonate; pyridin-1-ium; hydrate CAS Name: 4-methylbenzenesulfonate; pyridin-1-ium; hydrate IUPAC Name: 4-methylbenzenesulfonate; pyridin-1-ium; hydrate Traditional Name: pyridin-1-ium tosylate hydrate Formula: C12H15NO4S MolecularWeight: 269.3168

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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.C5H5N.H2O/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;1H2