8-[3-ethyl-5-(4-oxidanyl-4-oxidanylidene-butyl)thiophen-2-yl]octanoic acid

Systemtic Name: 8-[3-ethyl-5-(4-oxidanyl-4-oxidanylidene-butyl)thiophen-2-yl]octanoic acid Openeye Name: 8-[3-ethyl-5-(4-hydroxy-4-oxo-butyl)-2-thienyl]octanoic acid CAS Name: 8-[3-ethyl-5-(4-hydroxy-4-oxobutyl)-2-thiophenyl]octanoic acid IUPAC Name: 8-[3-ethyl-5-(4-hydroxy-4-oxobutyl)thiophen-2-yl]octanoic acid Traditional Name: 8-[3-ethyl-5-(4-hydroxy-4-keto-butyl)-2-thienyl]caprylic acid Formula: C18H28O4S MolecularWeight: 340.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)CCCC(=O)O)CCCCCCCC(=O)O

Isomeric SMILES

CCC1=C(SC(=C1)CCCC(=O)O)CCCCCCCC(=O)O

InChI

InChI=1S/C18H28O4S/c1-2-14-13-15(9-8-12-18(21)22)23-16(14)10-6-4-3-5-7-11-17(19)20/h13H,2-12H2,1H3,(H,19,20)(H,21,22)