3-(2-carboxyethylsulfanyl)-2-fluoranyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-2-fluoranyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-2-fluoro-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 3-(2-carboxyethylthio)-2-fluoro-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-2-fluoro-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-(2-carboxyethylthio)-2-fluoro-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C26H33FO4S MolecularWeight: 460.601223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)O)F)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2C(C(C(=O)O)F)SCCC(=O)O

InChI

InChI=1S/C26H33FO4S/c27-24(26(30)31)25(32-19-18-23(28)29)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20/h5,7-8,10-11,13-14,16-17,24-25H,1-4,6,9,12,15,18-19H2,(H,28,29)(H,30,31)