8-[5-[(E)-3-oxidanylideneoct-1-enyl]thiophen-2-yl]octanoic acid

Systemtic Name: 8-[5-[(E)-3-oxidanylideneoct-1-enyl]thiophen-2-yl]octanoic acid Openeye Name: 8-[5-[(E)-3-oxooct-1-enyl]-2-thienyl]octanoic acid CAS Name: 8-[5-[(E)-3-oxooct-1-enyl]-2-thiophenyl]octanoic acid IUPAC Name: 8-[5-[(E)-3-oxooct-1-enyl]thiophen-2-yl]octanoic acid Traditional Name: 8-[5-[(E)-3-ketooct-1-enyl]-2-thienyl]caprylic acid Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1=CC=C(S1)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCC(=O)/C=C/C1=CC=C(S1)CCCCCCCC(=O)O

InChI

InChI=1S/C20H30O3S/c1-2-3-7-10-17(21)13-14-19-16-15-18(24-19)11-8-5-4-6-9-12-20(22)23/h13-16H,2-12H2,1H3,(H,22,23)/b14-13+