(5-bromanyl-4,4,7-trimethyl-2-oxidanylidene-3H-chromen-6-yl) methanesulfonate

Systemtic Name: (5-bromanyl-4,4,7-trimethyl-2-oxidanylidene-3H-chromen-6-yl) methanesulfonate Openeye Name: (5-bromo-4,4,7-trimethyl-2-oxo-chroman-6-yl) methanesulfonate CAS Name: methanesulfonic acid (5-bromo-4,4,7-trimethyl-2-oxo-3,4-dihydro-2H-1-benzopyran-6-yl) ester IUPAC Name: (5-bromo-4,4,7-trimethyl-2-oxo-3H-chromen-6-yl) methanesulfonate Traditional Name: methanesulfonic acid (5-bromo-2-keto-4,4,7-trimethyl-chroman-6-yl) ester Formula: C13H15BrO5S MolecularWeight: 363.2242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1OS(=O)(=O)C)Br)C(CC(=O)O2)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1OS(=O)(=O)C)Br)C(CC(=O)O2)(C)C

InChI

InChI=1S/C13H15BrO5S/c1-7-5-8-10(13(2,3)6-9(15)18-8)11(14)12(7)19-20(4,16)17/h5H,6H2,1-4H3