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

Systemtic Name: 5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-2-furoic acid Formula: C16H17BrO4 MolecularWeight: 353.20778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C16H17BrO4/c1-16(2,3)12-8-10(17)4-6-13(12)20-9-11-5-7-14(21-11)15(18)19/h4-8H,9H2,1-3H3,(H,18,19)