3-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]propanoic acid

Systemtic Name: 3-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]propanoic acid Openeye Name: 3-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydrobenzofuran-7-yl]propanoic acid CAS Name: 3-[3-[2-(1,1-diphenylethylthio)ethyl]-2,3-dihydrobenzofuran-7-yl]propanoic acid IUPAC Name: 3-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]propanoic acid Traditional Name: 3-[3-[2-(1,1-diphenylethylthio)ethyl]coumaran-7-yl]propionic acid Formula: C27H28O3S MolecularWeight: 432.57442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCC3COC4=C3C=CC=C4CCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCC3COC4=C3C=CC=C4CCC(=O)O

InChI

InChI=1S/C27H28O3S/c1-27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)31-18-17-21-19-30-26-20(15-16-25(28)29)9-8-14-24(21)26/h2-14,21H,15-19H2,1H3,(H,28,29)