1H-benzimidazol-2-yl 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 1H-benzimidazol-2-yl 2,4,6-trimethylbenzenesulfonate Openeye Name: 1H-benzimidazol-2-yl 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid 1H-benzimidazol-2-yl ester IUPAC Name: 1H-benzimidazol-2-yl 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid 1H-benzimidazol-2-yl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C16H16N2O3S/c1-10-8-11(2)15(12(3)9-10)22(19,20)21-16-17-13-6-4-5-7-14(13)18-16/h4-9H,1-3H3,(H,17,18)