5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[(1S)-1-methylpropyl]phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[(1S)-1-methylpropyl]phenoxy]methyl]-2-furoic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C16H18O4/c1-3-11(2)12-4-6-13(7-5-12)19-10-14-8-9-15(20-14)16(17)18/h4-9,11H,3,10H2,1-2H3,(H,17,18)/t11-/m0/s1