octan-2-yl 6-fluoranyl-4-phenyl-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: octan-2-yl 6-fluoranyl-4-phenyl-cyclohexa-1,5-diene-1-carboxylate Openeye Name: 1-methylheptyl 6-fluoro-4-phenyl-cyclohexa-1,5-diene-1-carboxylate CAS Name: 6-fluoro-4-phenyl-1-cyclohexa-1,5-dienecarboxylic acid octan-2-yl ester IUPAC Name: octan-2-yl 6-fluoro-4-phenylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 6-fluoro-4-phenyl-cyclohexa-1,5-diene-1-carboxylic acid 1-methylheptyl ester Formula: C21H27FO2 MolecularWeight: 330.436283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CCC(C=C1F)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CCC(C=C1F)C2=CC=CC=C2

InChI

InChI=1S/C21H27FO2/c1-3-4-5-7-10-16(2)24-21(23)19-14-13-18(15-20(19)22)17-11-8-6-9-12-17/h6,8-9,11-12,14-16,18H,3-5,7,10,13H2,1-2H3