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

Systemtic Name: 4-methylbenzenesulfonic acid; (E)-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-ol Openeye Name: (E)-5-(5-isopropoxy-3-pyridyl)pent-4-en-2-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; (E)-5-(5-propan-2-yloxy-3-pyridinyl)-4-penten-2-ol IUPAC Name: 4-methylbenzenesulfonic acid; (E)-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-ol Traditional Name: (E)-5-(5-isopropoxy-3-pyridyl)pent-4-en-2-ol; tosylic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)OC1=CN=CC(=C1)C=CCC(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)OC1=CN=CC(=C1)/C=C/CC(C)O

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)16-13-7-12(8-14-9-13)6-4-5-11(3)15;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-11,15H,5H2,1-3H3;2-5H,1H3,(H,8,9,10)/b6-4+;