hexyl 4-[4-[(2S)-2-methylbutyl]phenyl]-3-phenyl-benzenecarboperoxoate

Systemtic Name: hexyl 4-[4-[(2S)-2-methylbutyl]phenyl]-3-phenyl-benzenecarboperoxoate Openeye Name: hexyl 4-[4-[(2S)-2-methylbutyl]phenyl]-3-phenyl-benzenecarboperoxoate CAS Name: 4-[4-[(2S)-2-methylbutyl]phenyl]-3-phenylbenzenecarboperoxoic acid hexyl ester IUPAC Name: hexyl 4-[4-[(2S)-2-methylbutyl]phenyl]-3-phenylbenzenecarboperoxoate Traditional Name: 4-[4-[(2S)-2-methylbutyl]phenyl]-3-phenyl-benzenecarboperoxoic acid hexyl ester Formula: C30H36O3 MolecularWeight: 444.60504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)CC(C)CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=C(C=C2)C[C@@H](C)CC)C3=CC=CC=C3

InChI

InChI=1S/C30H36O3/c1-4-6-7-11-20-32-33-30(31)27-18-19-28(29(22-27)25-12-9-8-10-13-25)26-16-14-24(15-17-26)21-23(3)5-2/h8-10,12-19,22-23H,4-7,11,20-21H2,1-3H3/t23-/m0/s1