pyrimidin-2-yl 2,3,4-trimethylbenzenesulfonate

Systemtic Name: pyrimidin-2-yl 2,3,4-trimethylbenzenesulfonate Openeye Name: pyrimidin-2-yl 2,3,4-trimethylbenzenesulfonate CAS Name: 2,3,4-trimethylbenzenesulfonic acid 2-pyrimidinyl ester IUPAC Name: pyrimidin-2-yl 2,3,4-trimethylbenzenesulfonate Traditional Name: 2,3,4-trimethylbenzenesulfonic acid 2-pyrimidyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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