8-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyloctanoic acid

Systemtic Name: 8-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyloctanoic acid Openeye Name: 8-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanyloctanoic acid CAS Name: 8-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]octanoic acid IUPAC Name: 8-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanyloctanoic acid Traditional Name: 8-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]caprylic acid Formula: C18H26O5S MolecularWeight: 354.46104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCC(=O)O)SCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCC(=O)O)SCCCCCCCC(=O)O

InChI

InChI=1S/C18H26O5S/c19-17(20)11-4-2-1-3-7-14-24-16-10-6-5-9-15(16)23-13-8-12-18(21)22/h5-6,9-10H,1-4,7-8,11-14H2,(H,19,20)(H,21,22)