(E)-5-(5-methoxypyridin-3-yl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid

Systemtic Name: (E)-5-(5-methoxypyridin-3-yl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid Openeye Name: (E)-5-(5-methoxy-3-pyridyl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid CAS Name: (E)-5-(5-methoxy-3-pyridinyl)-4-penten-2-ol; 4-methylbenzenesulfonic acid IUPAC Name: (E)-5-(5-methoxypyridin-3-yl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid Traditional Name: (E)-5-(5-methoxy-3-pyridyl)pent-4-en-2-ol; tosylic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CC=CC1=CC(=CN=C1)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C/C=C/C1=CC(=CN=C1)OC)O

InChI

InChI=1S/C11H15NO2.C7H8O3S/c1-9(13)4-3-5-10-6-11(14-2)8-12-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3,5-9,13H,4H2,1-2H3;2-5H,1H3,(H,8,9,10)/b5-3+;