2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid

Systemtic Name: 2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid Openeye Name: 2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid CAS Name: 2-butyl-5-[4-(trifluoromethyl)phenyl]-3-furancarboxylic acid IUPAC Name: 2-butyl-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid Traditional Name: 2-butyl-5-[4-(trifluoromethyl)phenyl]-3-furoic acid Formula: C16H15F3O3 MolecularWeight: 312.28371

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(O1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCCCC1=C(C=C(O1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H15F3O3/c1-2-3-4-13-12(15(20)21)9-14(22-13)10-5-7-11(8-6-10)16(17,18)19/h5-9H,2-4H2,1H3,(H,20,21)