(2,3,6-trimethylphenyl) 5-bromanylfuran-2-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 5-bromanylfuran-2-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C14H13BrO3 MolecularWeight: 309.15522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=C(O2)Br)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=C(O2)Br)C

InChI

InChI=1S/C14H13BrO3/c1-8-4-5-9(2)13(10(8)3)18-14(16)11-6-7-12(15)17-11/h4-7H,1-3H3