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

Systemtic Name: 4-[3-[2-(diphenylmethyl)sulfanylethyl]-2,3-dihydro-1-benzofuran-7-yl]butanoic acid Openeye Name: 4-[3-(2-benzhydrylsulfanylethyl)-2,3-dihydrobenzofuran-7-yl]butanoic acid CAS Name: 4-[3-[2-[(diphenylmethyl)thio]ethyl]-2,3-dihydrobenzofuran-7-yl]butanoic acid IUPAC Name: 4-[3-(2-benzhydrylsulfanylethyl)-2,3-dihydro-1-benzofuran-7-yl]butanoic acid Traditional Name: 4-[3-[2-(benzhydrylthio)ethyl]coumaran-7-yl]butyric acid Formula: C27H28O3S MolecularWeight: 432.57442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C(=CC=C2)CCCC(=O)O)CCSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(O1)C(=CC=C2)CCCC(=O)O)CCSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28O3S/c28-25(29)16-8-14-20-13-7-15-24-23(19-30-26(20)24)17-18-31-27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-7,9-13,15,23,27H,8,14,16-19H2,(H,28,29)