octyl 3-(1-cyano-2-methyl-propyl)-2-fluoranyl-4-phenyl-benzenecarboperoxoate

Systemtic Name: octyl 3-(1-cyano-2-methyl-propyl)-2-fluoranyl-4-phenyl-benzenecarboperoxoate Openeye Name: octyl 3-(1-cyano-2-methyl-propyl)-2-fluoro-4-phenyl-benzenecarboperoxoate CAS Name: 3-(1-cyano-2-methylpropyl)-2-fluoro-4-phenylbenzenecarboperoxoic acid octyl ester IUPAC Name: octyl 3-(1-cyano-2-methylpropyl)-2-fluoro-4-phenylbenzenecarboperoxoate Traditional Name: 3-(1-cyano-2-methyl-propyl)-2-fluoro-4-phenyl-benzenecarboperoxoic acid octyl ester Formula: C26H32FNO3 MolecularWeight: 425.535583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32FNO3/c1-4-5-6-7-8-12-17-30-31-26(29)22-16-15-21(20-13-10-9-11-14-20)24(25(22)27)23(18-28)19(2)3/h9-11,13-16,19,23H,4-8,12,17H2,1-3H3