pyridin-3-yl 2,3,4,5,6-pentamethylbenzenesulfonate

Systemtic Name: pyridin-3-yl 2,3,4,5,6-pentamethylbenzenesulfonate Openeye Name: 3-pyridyl 2,3,4,5,6-pentamethylbenzenesulfonate CAS Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2,3,4,5,6-pentamethylbenzenesulfonate Traditional Name: 2,3,4,5,6-pentamethylbenzenesulfonic acid 3-pyridyl ester Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CN=CC=C2)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CN=CC=C2)C)C

InChI

InChI=1S/C16H19NO3S/c1-10-11(2)13(4)16(14(5)12(10)3)21(18,19)20-15-7-6-8-17-9-15/h6-9H,1-5H3