2-[[3-[3-(diphenylmethyl)sulfanylpropyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3-[3-(diphenylmethyl)sulfanylpropyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[[3-(3-benzhydrylsulfanylpropyl)-2,3-dihydrobenzofuran-7-yl]oxy]acetic acid CAS Name: 2-[[3-[3-[(diphenylmethyl)thio]propyl]-2,3-dihydrobenzofuran-7-yl]oxy]acetic acid IUPAC Name: 2-[[3-(3-benzhydrylsulfanylpropyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-[3-(benzhydrylthio)propyl]coumaran-7-yl]oxyacetic acid Formula: C26H26O4S MolecularWeight: 434.54724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C(=CC=C2)OCC(=O)O)CCCSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(O1)C(=CC=C2)OCC(=O)O)CCCSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26O4S/c27-24(28)18-29-23-15-7-14-22-21(17-30-25(22)23)13-8-16-31-26(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-7,9-12,14-15,21,26H,8,13,16-18H2,(H,27,28)