methyl 5-[5-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]thiophen-2-yl]pentaneperoxoate

Systemtic Name: methyl 5-[5-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]thiophen-2-yl]pentaneperoxoate Openeye Name: methyl 5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thienyl]pentaneperoxoate CAS Name: 5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thiophenyl]pentaneperoxoic acid methyl ester IUPAC Name: methyl 5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]thiophen-2-yl]pentaneperoxoate Traditional Name: 5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thienyl]peroxyvaleric acid methyl ester Formula: C23H36O4S MolecularWeight: 408.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=C(S1)CCCCC(=O)OOC)O

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=C(S1)CCCCC(=O)OOC)O

InChI

InChI=1S/C23H36O4S/c1-3-4-5-6-7-8-13-20(24)14-9-10-15-21-18-19-22(28-21)16-11-12-17-23(25)27-26-2/h9-10,14-15,18-20,24H,3-8,11-13,16-17H2,1-2H3/b14-9+,15-10+