3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-6-propyl-2H-1-benzofuran-5-ol

Systemtic Name: 3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-6-propyl-2H-1-benzofuran-5-ol Openeye Name: 3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-6-propyl-2H-benzofuran-5-ol CAS Name: 3,3-dimethyl-2-[2-[4-(methylthio)phenyl]ethyl]-6-propyl-2H-benzofuran-5-ol IUPAC Name: 3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-6-propyl-2H-1-benzofuran-5-ol Traditional Name: 3,3-dimethyl-2-[2-[4-(methylthio)phenyl]ethyl]-6-propyl-coumaran-5-ol Formula: C22H28O2S MolecularWeight: 356.52152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)OC(C2(C)C)CCC3=CC=C(C=C3)SC)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)OC(C2(C)C)CCC3=CC=C(C=C3)SC)O

InChI

InChI=1S/C22H28O2S/c1-5-6-16-13-20-18(14-19(16)23)22(2,3)21(24-20)12-9-15-7-10-17(25-4)11-8-15/h7-8,10-11,13-14,21,23H,5-6,9,12H2,1-4H3