5-[5-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]thiophen-2-yl]pentaneperoxoic acid

Systemtic Name: 5-[5-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]thiophen-2-yl]pentaneperoxoic acid Openeye Name: 5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thienyl]pentaneperoxoic acid CAS Name: 5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thiophenyl]pentaneperoxoic acid IUPAC Name: 5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]thiophen-2-yl]pentaneperoxoic acid Traditional Name: 5-[5-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-2-thienyl]peroxyvaleric acid Formula: C22H34O4S MolecularWeight: 394.56796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O4S/c1-2-3-4-5-6-7-12-19(23)13-8-9-14-20-17-18-21(27-20)15-10-11-16-22(24)26-25/h8-9,13-14,17-19,23,25H,2-7,10-12,15-16H2,1H3/b13-8+,14-9+