4-methylbenzenesulfonic acid; pyridin-2-ylmethanol

Systemtic Name: 4-methylbenzenesulfonic acid; pyridin-2-ylmethanol Openeye Name: 4-methylbenzenesulfonic acid; 2-pyridylmethanol CAS Name: 4-methylbenzenesulfonic acid; 2-pyridinylmethanol IUPAC Name: 4-methylbenzenesulfonic acid; pyridin-2-ylmethanol Traditional Name: 2-pyridylmethanol; tosylic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)CO

InChI

InChI=1S/C7H8O3S.C6H7NO/c1-6-2-4-7(5-3-6)11(8,9)10;8-5-6-3-1-2-4-7-6/h2-5H,1H3,(H,8,9,10);1-4,8H,5H2