pyridin-3-ylmethyl cyclohex-3-ene-1-sulfonate

Systemtic Name: pyridin-3-ylmethyl cyclohex-3-ene-1-sulfonate Openeye Name: 3-pyridylmethyl cyclohex-3-ene-1-sulfonate CAS Name: 1-cyclohex-3-enesulfonic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl cyclohex-3-ene-1-sulfonate Traditional Name: cyclohex-3-ene-1-sulfonic acid 3-pyridylmethyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)S(=O)(=O)OCC2=CN=CC=C2

Isomeric SMILES

C1CC(CC=C1)S(=O)(=O)OCC2=CN=CC=C2

InChI

InChI=1S/C12H15NO3S/c14-17(15,12-6-2-1-3-7-12)16-10-11-5-4-8-13-9-11/h1-2,4-5,8-9,12H,3,6-7,10H2