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

Systemtic Name: (5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Openeye Name: (5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate CAS Name: methanesulfonic acid (5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) ester IUPAC Name: (5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) ester Formula: C12H16O5S MolecularWeight: 272.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCOC2=C1C=C(C=C2)OS(=O)(=O)C)C

Isomeric SMILES

CC1(COCOC2=C1C=C(C=C2)OS(=O)(=O)C)C

InChI

InChI=1S/C12H16O5S/c1-12(2)7-15-8-16-11-5-4-9(6-10(11)12)17-18(3,13)14/h4-6H,7-8H2,1-3H3