pyridin-3-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: pyridin-3-ylmethyl 4-methylbenzenesulfonate Openeye Name: 3-pyridylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-pyridylmethyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CN=CC=C2

InChI

InChI=1S/C13H13NO3S/c1-11-4-6-13(7-5-11)18(15,16)17-10-12-3-2-8-14-9-12/h2-9H,10H2,1H3