5-oxidanylidene-5-[5-[(1E,3E)-13-oxidanyltrideca-1,3-dienyl]thiophen-2-yl]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[5-[(1E,3E)-13-oxidanyltrideca-1,3-dienyl]thiophen-2-yl]pentanoic acid Openeye Name: 5-[5-[(1E,3E)-13-hydroxytrideca-1,3-dienyl]-2-thienyl]-5-oxo-pentanoic acid CAS Name: 5-[5-[(1E,3E)-13-hydroxytrideca-1,3-dienyl]-2-thiophenyl]-5-oxopentanoic acid IUPAC Name: 5-[5-[(1E,3E)-13-hydroxytrideca-1,3-dienyl]thiophen-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-[(1E,3E)-13-hydroxytrideca-1,3-dienyl]-2-thienyl]-5-keto-valeric acid Formula: C22H32O4S MolecularWeight: 392.55208

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)CCCC(=O)O)C=CC=CCCCCCCCCCO

Isomeric SMILES

C1=C(SC(=C1)C(=O)CCCC(=O)O)/C=C/C=C/CCCCCCCCCO

InChI

InChI=1S/C22H32O4S/c23-18-11-9-7-5-3-1-2-4-6-8-10-13-19-16-17-21(27-19)20(24)14-12-15-22(25)26/h6,8,10,13,16-17,23H,1-5,7,9,11-12,14-15,18H2,(H,25,26)/b8-6+,13-10+