5-[(1S)-1-(4-bromanyl-2,3,6-trimethyl-phenoxy)ethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-(4-bromanyl-2,3,6-trimethyl-phenoxy)ethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(4-bromo-2,3,6-trimethyl-phenoxy)ethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-(4-bromo-2,3,6-trimethylphenoxy)ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(4-bromo-2,3,6-trimethylphenoxy)ethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-(4-bromo-2,3,6-trimethyl-phenoxy)ethyl]-2-furoic acid Formula: C16H17BrO4 MolecularWeight: 353.20778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(C)C2=CC=C(O2)C(=O)O)C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1O[C@@H](C)C2=CC=C(O2)C(=O)O)C)C)Br

InChI

InChI=1S/C16H17BrO4/c1-8-7-12(17)9(2)10(3)15(8)20-11(4)13-5-6-14(21-13)16(18)19/h5-7,11H,1-4H3,(H,18,19)/t11-/m0/s1