4-[(4-bromanyl-2,3,6-trimethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[(4-bromanyl-2,3,6-trimethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(4-bromo-2,3,6-trimethyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[(4-bromo-2,3,6-trimethylphenoxy)methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(4-bromo-2,3,6-trimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(4-bromo-2,3,6-trimethyl-phenoxy)methyl]-5-methyl-2-furoic acid Formula: C16H17BrO4 MolecularWeight: 353.20778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OCC2=C(OC(=C2)C(=O)O)C)C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1OCC2=C(OC(=C2)C(=O)O)C)C)C)Br

InChI

InChI=1S/C16H17BrO4/c1-8-5-13(17)9(2)10(3)15(8)20-7-12-6-14(16(18)19)21-11(12)4/h5-6H,7H2,1-4H3,(H,18,19)