3-(4-hexylphenyl)furan-2-carboxylic acid

Systemtic Name: 3-(4-hexylphenyl)furan-2-carboxylic acid Openeye Name: 3-(4-hexylphenyl)furan-2-carboxylic acid CAS Name: 3-(4-hexylphenyl)-2-furancarboxylic acid IUPAC Name: 3-(4-hexylphenyl)furan-2-carboxylic acid Traditional Name: 3-(4-hexylphenyl)-2-furoic acid Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(OC=C2)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(OC=C2)C(=O)O

InChI

InChI=1S/C17H20O3/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-11-12-20-16(15)17(18)19/h7-12H,2-6H2,1H3,(H,18,19)