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

Systemtic Name: (7-cyano-4,4-dimethyl-2-oxidanylidene-3H-chromen-6-yl) methanesulfonate Openeye Name: (7-cyano-4,4-dimethyl-2-oxo-chroman-6-yl) methanesulfonate CAS Name: methanesulfonic acid (7-cyano-4,4-dimethyl-2-oxo-3,4-dihydro-2H-1-benzopyran-6-yl) ester IUPAC Name: (7-cyano-4,4-dimethyl-2-oxo-3H-chromen-6-yl) methanesulfonate Traditional Name: methanesulfonic acid (7-cyano-2-keto-4,4-dimethyl-chroman-6-yl) ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC2=C1C=C(C(=C2)C#N)OS(=O)(=O)C)C

Isomeric SMILES

CC1(CC(=O)OC2=C1C=C(C(=C2)C#N)OS(=O)(=O)C)C

InChI

InChI=1S/C13H13NO5S/c1-13(2)6-12(15)18-11-4-8(7-14)10(5-9(11)13)19-20(3,16)17/h4-5H,6H2,1-3H3