2-[[3-[3-(3,3-diphenylpropylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3-[3-(3,3-diphenylpropylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[3-[3-(3,3-diphenylpropylsulfanyl)propyl]benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[3-[3-(3,3-diphenylpropylthio)propyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[3-[3-(3,3-diphenylpropylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-[3-(3,3-diphenylpropylthio)propyl]benzofuran-7-yl]oxyacetic acid Formula: C28H28O4S MolecularWeight: 460.58452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCSCCCC2=COC3=C2C=CC=C3OCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCSCCCC2=COC3=C2C=CC=C3OCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H28O4S/c29-27(30)20-31-26-15-7-14-25-23(19-32-28(25)26)13-8-17-33-18-16-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-12,14-15,19,24H,8,13,16-18,20H2,(H,29,30)