octyl 3-(3-oxidanylideneheptan-2-yl)-4-phenyl-benzenecarboperoxoate

Systemtic Name: octyl 3-(3-oxidanylideneheptan-2-yl)-4-phenyl-benzenecarboperoxoate Openeye Name: octyl 3-(1-methyl-2-oxo-hexyl)-4-phenyl-benzenecarboperoxoate CAS Name: 3-(3-oxoheptan-2-yl)-4-phenylbenzenecarboperoxoic acid octyl ester IUPAC Name: octyl 3-(3-oxoheptan-2-yl)-4-phenylbenzenecarboperoxoate Traditional Name: 3-(2-keto-1-methyl-hexyl)-4-phenyl-benzenecarboperoxoic acid octyl ester Formula: C28H38O4 MolecularWeight: 438.59892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(C)C(=O)CCCC

Isomeric SMILES

CCCCCCCCOOC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2)C(C)C(=O)CCCC

InChI

InChI=1S/C28H38O4/c1-4-6-8-9-10-14-20-31-32-28(30)24-18-19-25(23-15-12-11-13-16-23)26(21-24)22(3)27(29)17-7-5-2/h11-13,15-16,18-19,21-22H,4-10,14,17,20H2,1-3H3