3-[[3-[2-(diphenylmethyl)oxyethyl]-1-benzofuran-7-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[3-[2-(diphenylmethyl)oxyethyl]-1-benzofuran-7-yl]sulfanyl]propanoic acid Openeye Name: 3-[3-(2-benzhydryloxyethyl)benzofuran-7-yl]sulfanylpropanoic acid CAS Name: 3-[[3-[2-(diphenylmethyl)oxyethyl]-7-benzofuranyl]thio]propanoic acid IUPAC Name: 3-[[3-(2-benzhydryloxyethyl)-1-benzofuran-7-yl]sulfanyl]propanoic acid Traditional Name: 3-[[3-(2-benzhydryloxyethyl)benzofuran-7-yl]thio]propionic acid Formula: C26H24O4S MolecularWeight: 432.53136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCC3=COC4=C3C=CC=C4SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCC3=COC4=C3C=CC=C4SCCC(=O)O

InChI

InChI=1S/C26H24O4S/c27-24(28)15-17-31-23-13-7-12-22-21(18-30-26(22)23)14-16-29-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,25H,14-17H2,(H,27,28)