9-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylnonanoic acid

Systemtic Name: 9-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylnonanoic acid Openeye Name: 9-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanylnonanoic acid CAS Name: 9-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]nonanoic acid IUPAC Name: 9-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanylnonanoic acid Traditional Name: 9-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]pelargonic acid Formula: C19H28O5S MolecularWeight: 368.48762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O5S/c20-18(21)12-5-3-1-2-4-8-15-25-17-11-7-6-10-16(17)24-14-9-13-19(22)23/h6-7,10-11H,1-5,8-9,12-15H2,(H,20,21)(H,22,23)