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

Systemtic Name: (2,5,5-trimethyl-2-propan-2-yl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Openeye Name: (2-isopropyl-2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl) methanesulfonate CAS Name: methanesulfonic acid (2,5,5-trimethyl-2-propan-2-yl-4H-1,3-benzodioxepin-7-yl) ester IUPAC Name: (2,5,5-trimethyl-2-propan-2-yl-4H-1,3-benzodioxepin-7-yl) methanesulfonate Traditional Name: methanesulfonic acid (2-isopropyl-2,5,5-trimethyl-4H-1,3-benzodioxepin-7-yl) ester Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(OCC(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C)C

Isomeric SMILES

CC(C)C1(OCC(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C)C

InChI

InChI=1S/C16H24O5S/c1-11(2)16(5)19-10-15(3,4)13-9-12(21-22(6,17)18)7-8-14(13)20-16/h7-9,11H,10H2,1-6H3