octyl 3-(1-cyanoethyl)-2-fluoranyl-4-phenyl-benzenecarboperoxoate

Systemtic Name: octyl 3-(1-cyanoethyl)-2-fluoranyl-4-phenyl-benzenecarboperoxoate Openeye Name: octyl 3-(1-cyanoethyl)-2-fluoro-4-phenyl-benzenecarboperoxoate CAS Name: 3-(1-cyanoethyl)-2-fluoro-4-phenylbenzenecarboperoxoic acid octyl ester IUPAC Name: octyl 3-(1-cyanoethyl)-2-fluoro-4-phenylbenzenecarboperoxoate Traditional Name: 3-(1-cyanoethyl)-2-fluoro-4-phenyl-benzenecarboperoxoic acid octyl ester Formula: C24H28FNO3 MolecularWeight: 397.482423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOOC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)C(C)C#N)F

Isomeric SMILES

CCCCCCCCOOC(=O)C1=C(C(=C(C=C1)C2=CC=CC=C2)C(C)C#N)F

InChI

InChI=1S/C24H28FNO3/c1-3-4-5-6-7-11-16-28-29-24(27)21-15-14-20(19-12-9-8-10-13-19)22(23(21)25)18(2)17-26/h8-10,12-15,18H,3-7,11,16H2,1-2H3