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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=C(S1)C(CCCC(=O)O)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=C(S1)C(CCCC(=O)O)O)O

InChI

InChI=1S/C22H34O4S/c1-2-3-4-5-6-7-11-18(23)12-8-9-13-19-16-17-21(27-19)20(24)14-10-15-22(25)26/h8-9,12-13,16-18,20,23-24H,2-7,10-11,14-15H2,1H3,(H,25,26)/b12-8+,13-9+