[2-(bromomethyl)-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl] methanesulfonate

Systemtic Name: [2-(bromomethyl)-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl] methanesulfonate Openeye Name: [2-(bromomethyl)-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(bromomethyl)-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl] ester IUPAC Name: [2-(bromomethyl)-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(bromomethyl)-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl] ester Formula: C13H17BrO5S MolecularWeight: 365.24008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC2=C1C=C(C=C2)OS(=O)(=O)C)CBr)C

Isomeric SMILES

CC1(COC(OC2=C1C=C(C=C2)OS(=O)(=O)C)CBr)C

InChI

InChI=1S/C13H17BrO5S/c1-13(2)8-17-12(7-14)18-11-5-4-9(6-10(11)13)19-20(3,15)16/h4-6,12H,7-8H2,1-3H3