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

Systemtic Name: 5-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]furan-2-carboxylate Openeye Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]furan-2-carboxylate CAS Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-bromo-2-tert-butylphenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(4-bromo-2-tert-butyl-phenoxy)methyl]-2-furoate Formula: C16H16BrO4- MolecularWeight: 352.19984

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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)/p-1