pyrimidin-2-yl 2,4,6-trimethylbenzenesulfonate

Systemtic Name: pyrimidin-2-yl 2,4,6-trimethylbenzenesulfonate Openeye Name: pyrimidin-2-yl 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid 2-pyrimidinyl ester IUPAC Name: pyrimidin-2-yl 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid 2-pyrimidyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=NC=CC=N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=NC=CC=N2)C

InChI

InChI=1S/C13H14N2O3S/c1-9-7-10(2)12(11(3)8-9)19(16,17)18-13-14-5-4-6-15-13/h4-8H,1-3H3