pyridin-4-ylmethyl benzenesulfonate

Systemtic Name: pyridin-4-ylmethyl benzenesulfonate Openeye Name: 4-pyridylmethyl benzenesulfonate CAS Name: benzenesulfonic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl benzenesulfonate Traditional Name: benzenesulfonic acid 4-pyridylmethyl ester Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCC2=CC=NC=C2

InChI

InChI=1S/C12H11NO3S/c14-17(15,12-4-2-1-3-5-12)16-10-11-6-8-13-9-7-11/h1-9H,10H2