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

Systemtic Name: 4-[[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]methyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[[2-bromo-4-(1,1-dimethylpropyl)phenoxy]methyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(4-tert-amyl-2-bromo-phenoxy)methyl]-5-methyl-2-furoic acid Formula: C18H21BrO4 MolecularWeight: 381.26094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrO4/c1-5-18(3,4)13-6-7-15(14(19)9-13)22-10-12-8-16(17(20)21)23-11(12)2/h6-9H,5,10H2,1-4H3,(H,20,21)