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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC2=CC=C(O2)C(=O)O

InChI

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