3-[(2-fluoranyl-4-methoxycarbonyl-phenyl)methylsulfanyl]-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: 3-[(2-fluoranyl-4-methoxycarbonyl-phenyl)methylsulfanyl]-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: 3-[(2-fluoro-4-methoxycarbonyl-phenyl)methylsulfanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 3-[(2-fluoro-4-methoxycarbonylphenyl)methylthio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoate IUPAC Name: 3-[(2-fluoro-4-methoxycarbonylphenyl)methylsulfanyl]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 3-[(4-carbomethoxy-2-fluoro-benzyl)thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionate Formula: C32H36FO5S- MolecularWeight: 551.688643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)[O-])O)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)[O-])O)F

InChI

InChI=1S/C32H37FO5S/c1-38-32(37)25-19-20-26(28(33)21-25)22-39-30(29(34)31(35)36)27-18-12-11-17-24(27)16-10-5-3-2-4-7-13-23-14-8-6-9-15-23/h6,8-9,11-12,14-15,17-21,29-30,34H,2-5,7,10,13,16,22H2,1H3,(H,35,36)/p-1