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

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

Systemtic Name:3-[3-[2-(diphenylmethyl)sulfanylethyl]-2,3-dihydro-1-benzofuran-7-yl]propanoic acid
Openeye Name:3-[3-(2-benzhydrylsulfanylethyl)-2,3-dihydrobenzofuran-7-yl]propanoic acid
CAS Name:3-[3-[2-[(diphenylmethyl)thio]ethyl]-2,3-dihydrobenzofuran-7-yl]propanoic acid
IUPAC Name:3-[3-(2-benzhydrylsulfanylethyl)-2,3-dihydro-1-benzofuran-7-yl]propanoic acid
Traditional Name:3-[3-[2-(benzhydrylthio)ethyl]coumaran-7-yl]propionic acid
Formula: C26H26O3S
MolecularWeight: 418.54784
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H26O3S/c27-24(28)15-14-19-12-7-13-23-22(18-29-25(19)23)16-17-30-26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,22,26H,14-18H2,(H,27,28)


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