4-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]butanoic acid

Systemtic Name: 4-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]butanoic acid Openeye Name: 4-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydrobenzofuran-7-yl]butanoic acid CAS Name: 4-[3-[2-(1,1-diphenylethylthio)ethyl]-2,3-dihydrobenzofuran-7-yl]butanoic acid IUPAC Name: 4-[3-[2-(1,1-diphenylethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]butanoic acid Traditional Name: 4-[3-[2-(1,1-diphenylethylthio)ethyl]coumaran-7-yl]butyric acid Formula: C28H30O3S MolecularWeight: 446.601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCC3COC4=C3C=CC=C4CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)SCCC3COC4=C3C=CC=C4CCCC(=O)O

InChI

InChI=1S/C28H30O3S/c1-28(23-12-4-2-5-13-23,24-14-6-3-7-15-24)32-19-18-22-20-31-27-21(10-8-16-25(22)27)11-9-17-26(29)30/h2-8,10,12-16,22H,9,11,17-20H2,1H3,(H,29,30)