5-[(1S)-1-(2-bromanyl-4-methyl-phenoxy)ethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-(2-bromanyl-4-methyl-phenoxy)ethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(2-bromo-4-methyl-phenoxy)ethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-(2-bromo-4-methylphenoxy)ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(2-bromo-4-methylphenoxy)ethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-(2-bromo-4-methyl-phenoxy)ethyl]-2-furoic acid Formula: C14H13BrO4 MolecularWeight: 325.15462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C2=CC=C(O2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)O[C@@H](C)C2=CC=C(O2)C(=O)O)Br

InChI

InChI=1S/C14H13BrO4/c1-8-3-4-12(10(15)7-8)18-9(2)11-5-6-13(19-11)14(16)17/h3-7,9H,1-2H3,(H,16,17)/t9-/m0/s1