5-[(1S)-1-(2,3,5-trimethylphenoxy)ethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1S)-1-(2,3,5-trimethylphenoxy)ethyl]furan-2-carboxylic acid Openeye Name: 5-[(1S)-1-(2,3,5-trimethylphenoxy)ethyl]furan-2-carboxylic acid CAS Name: 5-[(1S)-1-(2,3,5-trimethylphenoxy)ethyl]-2-furancarboxylic acid IUPAC Name: 5-[(1S)-1-(2,3,5-trimethylphenoxy)ethyl]furan-2-carboxylic acid Traditional Name: 5-[(1S)-1-(2,3,5-trimethylphenoxy)ethyl]-2-furoic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4/c1-9-7-10(2)11(3)15(8-9)19-12(4)13-5-6-14(20-13)16(17)18/h5-8,12H,1-4H3,(H,17,18)/t12-/m0/s1