(2-oxidanyl-3-pyridin-4-yl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanyl-3-pyridin-4-yl-propyl) 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-(4-pyridyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-pyridin-4-ylpropyl) ester IUPAC Name: (2-hydroxy-3-pyridin-4-ylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(4-pyridyl)propyl] ester Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=NC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=NC=C2)O

InChI

InChI=1S/C15H17NO4S/c1-12-2-4-15(5-3-12)21(18,19)20-11-14(17)10-13-6-8-16-9-7-13/h2-9,14,17H,10-11H2,1H3