3,3-dimethyl-1-[2-methyl-4-[3-[5-(methylsulfonylmethyl)-1-benzofuran-2-yl]pentan-3-yl]phenoxy]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[2-methyl-4-[3-[5-(methylsulfonylmethyl)-1-benzofuran-2-yl]pentan-3-yl]phenoxy]butan-2-one Openeye Name: 1-[4-[1-ethyl-1-[5-(methylsulfonylmethyl)benzofuran-2-yl]propyl]-2-methyl-phenoxy]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[2-methyl-4-[3-[5-(methylsulfonylmethyl)-2-benzofuranyl]pentan-3-yl]phenoxy]-2-butanone IUPAC Name: 3,3-dimethyl-1-[2-methyl-4-[3-[5-(methylsulfonylmethyl)-1-benzofuran-2-yl]pentan-3-yl]phenoxy]butan-2-one Traditional Name: 1-[4-[1-ethyl-1-[5-(mesylmethyl)benzofuran-2-yl]propyl]-2-methyl-phenoxy]-3,3-dimethyl-butan-2-one Formula: C28H36O5S MolecularWeight: 484.64744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC3=C(O2)C=CC(=C3)CS(=O)(=O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC3=C(O2)C=CC(=C3)CS(=O)(=O)C

InChI

InChI=1S/C28H36O5S/c1-8-28(9-2,22-11-13-23(19(3)14-22)32-17-25(29)27(4,5)6)26-16-21-15-20(18-34(7,30)31)10-12-24(21)33-26/h10-16H,8-9,17-18H2,1-7H3