(7-iodanyl-4,4-dimethyl-2-oxidanylidene-3H-chromen-6-yl) methanesulfonate

Systemtic Name: (7-iodanyl-4,4-dimethyl-2-oxidanylidene-3H-chromen-6-yl) methanesulfonate Openeye Name: (7-iodo-4,4-dimethyl-2-oxo-chroman-6-yl) methanesulfonate CAS Name: methanesulfonic acid (7-iodo-4,4-dimethyl-2-oxo-3,4-dihydro-2H-1-benzopyran-6-yl) ester IUPAC Name: (7-iodo-4,4-dimethyl-2-oxo-3H-chromen-6-yl) methanesulfonate Traditional Name: methanesulfonic acid (7-iodo-2-keto-4,4-dimethyl-chroman-6-yl) ester Formula: C12H13IO5S MolecularWeight: 396.19809

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC2=CC(=C(C=C21)OS(=O)(=O)C)I)C

Isomeric SMILES

CC1(CC(=O)OC2=CC(=C(C=C21)OS(=O)(=O)C)I)C

InChI

InChI=1S/C12H13IO5S/c1-12(2)6-11(14)17-9-5-8(13)10(4-7(9)12)18-19(3,15)16/h4-5H,6H2,1-3H3