heptyl 6-(1-cyanoethyl)-2,3-bis(fluoranyl)-4-phenyl-benzenecarboperoxoate

Systemtic Name: heptyl 6-(1-cyanoethyl)-2,3-bis(fluoranyl)-4-phenyl-benzenecarboperoxoate Openeye Name: heptyl 6-(1-cyanoethyl)-2,3-difluoro-4-phenyl-benzenecarboperoxoate CAS Name: 6-(1-cyanoethyl)-2,3-difluoro-4-phenylbenzenecarboperoxoic acid heptyl ester IUPAC Name: heptyl 6-(1-cyanoethyl)-2,3-difluoro-4-phenylbenzenecarboperoxoate Traditional Name: 6-(1-cyanoethyl)-2,3-difluoro-4-phenyl-benzenecarboperoxoic acid heptyl ester Formula: C23H25F2NO3 MolecularWeight: 401.446306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOOC(=O)C1=C(C=C(C(=C1F)F)C2=CC=CC=C2)C(C)C#N

Isomeric SMILES

CCCCCCCOOC(=O)C1=C(C=C(C(=C1F)F)C2=CC=CC=C2)C(C)C#N

InChI

InChI=1S/C23H25F2NO3/c1-3-4-5-6-10-13-28-29-23(27)20-18(16(2)15-26)14-19(21(24)22(20)25)17-11-8-7-9-12-17/h7-9,11-12,14,16H,3-6,10,13H2,1-2H3