pyridin-3-yl 2-methanoyl-4-methyl-benzenesulfonate

Systemtic Name: pyridin-3-yl 2-methanoyl-4-methyl-benzenesulfonate Openeye Name: 3-pyridyl 2-formyl-4-methyl-benzenesulfonate CAS Name: 2-formyl-4-methylbenzenesulfonic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-formyl-4-methylbenzenesulfonate Traditional Name: 2-formyl-4-methyl-benzenesulfonic acid 3-pyridyl ester Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CN=CC=C2)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=CN=CC=C2)C=O

InChI

InChI=1S/C13H11NO4S/c1-10-4-5-13(11(7-10)9-15)19(16,17)18-12-3-2-6-14-8-12/h2-9H,1H3