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

Systemtic Name: 3,3-dimethyl-2-[2-(4-methylsulfonylphenyl)ethyl]-6-propyl-2H-1-benzofuran-5-ol Openeye Name: 3,3-dimethyl-2-[2-(4-methylsulfonylphenyl)ethyl]-6-propyl-2H-benzofuran-5-ol CAS Name: 3,3-dimethyl-2-[2-(4-methylsulfonylphenyl)ethyl]-6-propyl-2H-benzofuran-5-ol IUPAC Name: 3,3-dimethyl-2-[2-(4-methylsulfonylphenyl)ethyl]-6-propyl-2H-1-benzofuran-5-ol Traditional Name: 2-[2-(4-mesylphenyl)ethyl]-3,3-dimethyl-6-propyl-coumaran-5-ol Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4S/c1-5-6-16-13-20-18(14-19(16)23)22(2,3)21(26-20)12-9-15-7-10-17(11-8-15)27(4,24)25/h7-8,10-11,13-14,21,23H,5-6,9,12H2,1-4H3