heptyl 6-(2-cyano-2-methyl-hexyl)-2,3-bis(fluoranyl)-4-phenyl-benzenecarboperoxoate

Systemtic Name: heptyl 6-(2-cyano-2-methyl-hexyl)-2,3-bis(fluoranyl)-4-phenyl-benzenecarboperoxoate Openeye Name: heptyl 6-(2-cyano-2-methyl-hexyl)-2,3-difluoro-4-phenyl-benzenecarboperoxoate CAS Name: 6-(2-cyano-2-methylhexyl)-2,3-difluoro-4-phenylbenzenecarboperoxoic acid heptyl ester IUPAC Name: heptyl 6-(2-cyano-2-methylhexyl)-2,3-difluoro-4-phenylbenzenecarboperoxoate Traditional Name: 6-(2-cyano-2-methyl-hexyl)-2,3-difluoro-4-phenyl-benzenecarboperoxoic acid heptyl ester Formula: C28H35F2NO3 MolecularWeight: 471.579206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35F2NO3/c1-4-6-8-9-13-17-33-34-27(32)24-22(19-28(3,20-31)16-7-5-2)18-23(25(29)26(24)30)21-14-11-10-12-15-21/h10-12,14-15,18H,4-9,13,16-17,19H2,1-3H3