[3-(7-bromanyl-2,3-dimethyl-1-benzofuran-5-yl)-5-methylsulfonyloxy-pentyl] methanesulfonate

Systemtic Name: [3-(7-bromanyl-2,3-dimethyl-1-benzofuran-5-yl)-5-methylsulfonyloxy-pentyl] methanesulfonate Openeye Name: [3-(7-bromo-2,3-dimethyl-benzofuran-5-yl)-5-methylsulfonyloxy-pentyl] methanesulfonate CAS Name: methanesulfonic acid [3-(7-bromo-2,3-dimethyl-5-benzofuranyl)-5-methylsulfonyloxypentyl] ester IUPAC Name: [3-(7-bromo-2,3-dimethyl-1-benzofuran-5-yl)-5-methylsulfonyloxypentyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(7-bromo-2,3-dimethyl-benzofuran-5-yl)-5-methylsulfonyloxy-pentyl] ester Formula: C17H23BrO7S2 MolecularWeight: 483.39432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C=C(C=C12)C(CCOS(=O)(=O)C)CCOS(=O)(=O)C)Br)C

Isomeric SMILES

CC1=C(OC2=C(C=C(C=C12)C(CCOS(=O)(=O)C)CCOS(=O)(=O)C)Br)C

InChI

InChI=1S/C17H23BrO7S2/c1-11-12(2)25-17-15(11)9-14(10-16(17)18)13(5-7-23-26(3,19)20)6-8-24-27(4,21)22/h9-10,13H,5-8H2,1-4H3