8-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]octanoic acid

Systemtic Name: 8-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]octanoic acid Openeye Name: 8-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenoxy]octanoic acid CAS Name: 8-[2-[(4-hydroxy-4-oxobutyl)thio]phenoxy]octanoic acid IUPAC Name: 8-[2-(4-hydroxy-4-oxobutyl)sulfanylphenoxy]octanoic acid Traditional Name: 8-[2-[(4-hydroxy-4-keto-butyl)thio]phenoxy]caprylic acid Formula: C18H26O5S MolecularWeight: 354.46104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCCCCC(=O)O)SCCCC(=O)O

InChI

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