4-[(2-bromanyl-4,6-dimethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylate

Systemtic Name: 4-[(2-bromanyl-4,6-dimethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(2-bromo-4,6-dimethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[(2-bromo-4,6-dimethylphenoxy)methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(2-bromo-4,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(2-bromo-4,6-dimethyl-phenoxy)methyl]-5-methyl-2-furoate Formula: C15H14BrO4- MolecularWeight: 338.17326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=C(OC(=C2)C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=C(OC(=C2)C(=O)[O-])C)C

InChI

InChI=1S/C15H15BrO4/c1-8-4-9(2)14(12(16)5-8)19-7-11-6-13(15(17)18)20-10(11)3/h4-6H,7H2,1-3H3,(H,17,18)/p-1