3-(2-carboxyethylsulfanyl)-3-[2-(2-octylphenyl)phenyl]-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-[2-(2-octylphenyl)phenyl]-2-oxidanyl-propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(2-octylphenyl)phenyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[2-(2-octylphenyl)phenyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-2-hydroxy-3-[2-(2-octylphenyl)phenyl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-hydroxy-3-[2-(2-octylphenyl)phenyl]propionic acid Formula: C26H34O5S MolecularWeight: 458.61016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C2=CC=CC=C2C(C(C(=O)O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C2=CC=CC=C2C(C(C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C26H34O5S/c1-2-3-4-5-6-7-12-19-13-8-9-14-20(19)21-15-10-11-16-22(21)25(24(29)26(30)31)32-18-17-23(27)28/h8-11,13-16,24-25,29H,2-7,12,17-18H2,1H3,(H,27,28)(H,30,31)