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

Systemtic Name: 4-[(4-bromanyl-3-methyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(4-bromo-3-methyl-phenoxy)methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[(4-bromo-3-methylphenoxy)methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(4-bromo-3-methylphenoxy)methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(4-bromo-3-methyl-phenoxy)methyl]-5-methyl-2-furoic acid Formula: C14H13BrO4 MolecularWeight: 325.15462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrO4/c1-8-5-11(3-4-12(8)15)18-7-10-6-13(14(16)17)19-9(10)2/h3-6H,7H2,1-2H3,(H,16,17)