(2,2,5,5-tetramethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate

Systemtic Name: (2,2,5,5-tetramethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Openeye Name: (2,2,5,5-tetramethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate CAS Name: methanesulfonic acid (2,2,5,5-tetramethyl-4H-1,3-benzodioxepin-7-yl) ester IUPAC Name: (2,2,5,5-tetramethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (2,2,5,5-tetramethyl-4H-1,3-benzodioxepin-7-yl) ester Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S/c1-13(2)9-17-14(3,4)18-12-7-6-10(8-11(12)13)19-20(5,15)16/h6-8H,9H2,1-5H3