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

Systemtic Name: (2-methoxy-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Openeye Name: (2-methoxy-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate CAS Name: methanesulfonic acid (2-methoxy-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) ester IUPAC Name: (2-methoxy-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (2-methoxy-5,5-dimethyl-4H-1,3-benzodioxepin-7-yl) ester Formula: C13H18O6S MolecularWeight: 302.34342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O6S/c1-13(2)8-17-12(16-3)18-11-6-5-9(7-10(11)13)19-20(4,14)15/h5-7,12H,8H2,1-4H3