(E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid

Systemtic Name: (E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid Openeye Name: (E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid CAS Name: (E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)-4-penten-2-ol; 4-methylbenzenesulfonic acid IUPAC Name: (E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid Traditional Name: (E)-5-(3-methoxy-1-methyl-2H-pyridin-5-yl)pent-4-en-2-ol; tosylic acid Formula: C19H27NO5S MolecularWeight: 381.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2.C7H8O3S/c1-10(14)5-4-6-11-7-12(15-3)9-13(2)8-11;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-8,10,14H,5,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/b6-4+;