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

Systemtic Name: (2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Openeye Name: (2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate CAS Name: methanesulfonic acid (2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl) ester IUPAC Name: (2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl) ester Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC1OCC(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C

Isomeric SMILES

CC1OCC(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C

InChI

InChI=1S/C13H18O5S/c1-9-16-8-13(2,3)11-7-10(18-19(4,14)15)5-6-12(11)17-9/h5-7,9H,8H2,1-4H3