4-[[3-[2-(diphenylmethyl)oxyethyl]-1-benzofuran-7-yl]sulfanyl]butanoic acid

Systemtic Name: 4-[[3-[2-(diphenylmethyl)oxyethyl]-1-benzofuran-7-yl]sulfanyl]butanoic acid Openeye Name: 4-[3-(2-benzhydryloxyethyl)benzofuran-7-yl]sulfanylbutanoic acid CAS Name: 4-[[3-[2-(diphenylmethyl)oxyethyl]-7-benzofuranyl]thio]butanoic acid IUPAC Name: 4-[[3-(2-benzhydryloxyethyl)-1-benzofuran-7-yl]sulfanyl]butanoic acid Traditional Name: 4-[[3-(2-benzhydryloxyethyl)benzofuran-7-yl]thio]butyric acid Formula: C27H26O4S MolecularWeight: 446.55794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCC3=COC4=C3C=CC=C4SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCC3=COC4=C3C=CC=C4SCCCC(=O)O

InChI

InChI=1S/C27H26O4S/c28-25(29)15-8-18-32-24-14-7-13-23-22(19-31-27(23)24)16-17-30-26(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-7,9-14,19,26H,8,15-18H2,(H,28,29)