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

Systemtic Name: 8-[4-methyl-5-(4-oxidanyl-4-oxidanylidene-butyl)thiophen-2-yl]octanoic acid Openeye Name: 8-[5-(4-hydroxy-4-oxo-butyl)-4-methyl-2-thienyl]octanoic acid CAS Name: 8-[5-(4-hydroxy-4-oxobutyl)-4-methyl-2-thiophenyl]octanoic acid IUPAC Name: 8-[5-(4-hydroxy-4-oxobutyl)-4-methylthiophen-2-yl]octanoic acid Traditional Name: 8-[5-(4-hydroxy-4-keto-butyl)-4-methyl-2-thienyl]caprylic acid Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)CCCCCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CC1=C(SC(=C1)CCCCCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C17H26O4S/c1-13-12-14(22-15(13)9-7-11-17(20)21)8-5-3-2-4-6-10-16(18)19/h12H,2-11H2,1H3,(H,18,19)(H,20,21)