10-[2-(2-carboxyethylsulfanyl)phenoxy]decanoic acid

Systemtic Name: 10-[2-(2-carboxyethylsulfanyl)phenoxy]decanoic acid Openeye Name: 10-[2-(2-carboxyethylsulfanyl)phenoxy]decanoic acid CAS Name: 10-[2-(2-carboxyethylthio)phenoxy]decanoic acid IUPAC Name: 10-[2-(2-carboxyethylsulfanyl)phenoxy]decanoic acid Traditional Name: 10-[2-(2-carboxyethylthio)phenoxy]capric acid Formula: C19H28O5S MolecularWeight: 368.48762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCCCCCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCCCCCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C19H28O5S/c20-18(21)12-6-4-2-1-3-5-9-14-24-16-10-7-8-11-17(16)25-15-13-19(22)23/h7-8,10-11H,1-6,9,12-15H2,(H,20,21)(H,22,23)