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

Systemtic Name: (4,4-dimethyl-7-nitro-2-oxidanylidene-3H-chromen-6-yl) methanesulfonate Openeye Name: (4,4-dimethyl-7-nitro-2-oxo-chroman-6-yl) methanesulfonate CAS Name: methanesulfonic acid (4,4-dimethyl-7-nitro-2-oxo-3,4-dihydro-2H-1-benzopyran-6-yl) ester IUPAC Name: (4,4-dimethyl-7-nitro-2-oxo-3H-chromen-6-yl) methanesulfonate Traditional Name: methanesulfonic acid (2-keto-4,4-dimethyl-7-nitro-chroman-6-yl) ester Formula: C12H13NO7S MolecularWeight: 315.29912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC2=CC(=C(C=C21)OS(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)OC2=CC(=C(C=C21)OS(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H13NO7S/c1-12(2)6-11(14)19-9-5-8(13(15)16)10(4-7(9)12)20-21(3,17)18/h4-5H,6H2,1-3H3