methyl 5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]pentaneperoxoate

Systemtic Name: methyl 5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]pentaneperoxoate Openeye Name: methyl 5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]pentaneperoxoate CAS Name: 5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]pentaneperoxoic acid methyl ester IUPAC Name: methyl 5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]pentaneperoxoate Traditional Name: 5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]peroxyvaleric acid methyl ester Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=CC=C1CCCCC(=O)OOC)OC

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=CC=C1CCCCC(=O)OOC)OC

InChI

InChI=1S/C26H40O4/c1-4-5-6-7-8-9-20-25(28-2)21-14-12-18-23-16-10-11-17-24(23)19-13-15-22-26(27)30-29-3/h10-12,14,16-18,21,25H,4-9,13,15,19-20,22H2,1-3H3/b18-12+,21-14+