2-[2-tert-butyl-4-(7-heptanoylperoxy-7-oxidanylidene-heptyl)-6-methyl-phenyl]ethyl octadecanoate

Systemtic Name: 2-[2-tert-butyl-4-(7-heptanoylperoxy-7-oxidanylidene-heptyl)-6-methyl-phenyl]ethyl octadecanoate Openeye Name: 2-[2-tert-butyl-4-(7-heptanoylperoxy-7-oxo-heptyl)-6-methyl-phenyl]ethyl octadecanoate CAS Name: octadecanoic acid 2-[2-tert-butyl-6-methyl-4-[7-oxo-7-(1-oxoheptyldioxy)heptyl]phenyl]ethyl ester IUPAC Name: 2-[2-tert-butyl-4-(7-heptanoylperoxy-7-oxoheptyl)-6-methylphenyl]ethyl octadecanoate Traditional Name: stearic acid 2-[2-tert-butyl-4-(7-enanthylperoxy-7-keto-heptyl)-6-methyl-phenyl]ethyl ester Formula: C45H78O6 MolecularWeight: 715.09722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC1=C(C=C(C=C1C(C)(C)C)CCCCCCC(=O)OOC(=O)CCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCC1=C(C=C(C=C1C(C)(C)C)CCCCCCC(=O)OOC(=O)CCCCCC)C

InChI

InChI=1S/C45H78O6/c1-7-9-11-13-14-15-16-17-18-19-20-21-22-23-28-31-42(46)49-35-34-40-38(3)36-39(37-41(40)45(4,5)6)30-26-24-25-29-33-44(48)51-50-43(47)32-27-12-10-8-2/h36-37H,7-35H2,1-6H3