2-fluoranyl-1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-fluoranyl-1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-fluoro-1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-fluoro-1-octoxy-4-phenyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-fluoro-1-octoxy-4-phenylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-fluoro-1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C21H27FO3 MolecularWeight: 346.435683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1F)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1F)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H27FO3/c1-2-3-4-5-6-10-15-25-21(20(23)24)14-13-18(16-19(21)22)17-11-8-7-9-12-17/h7-9,11-14,16,18H,2-6,10,15H2,1H3,(H,23,24)