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

Systemtic Name: (4,4,7-trimethyl-2-oxidanylidene-5-thiocyanato-3H-chromen-6-yl) methanesulfonate Openeye Name: (4,4,7-trimethyl-2-oxo-5-thiocyanato-chroman-6-yl) methanesulfonate CAS Name: methanesulfonic acid (4,4,7-trimethyl-2-oxo-5-thiocyanato-3,4-dihydro-2H-1-benzopyran-6-yl) ester IUPAC Name: (4,4,7-trimethyl-2-oxo-5-thiocyanato-3H-chromen-6-yl) methanesulfonate Traditional Name: methanesulfonic acid (2-keto-4,4,7-trimethyl-5-thiocyanato-chroman-6-yl) ester Formula: C14H15NO5S2 MolecularWeight: 341.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1OS(=O)(=O)C)SC#N)C(CC(=O)O2)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1OS(=O)(=O)C)SC#N)C(CC(=O)O2)(C)C

InChI

InChI=1S/C14H15NO5S2/c1-8-5-9-11(14(2,3)6-10(16)19-9)13(21-7-15)12(8)20-22(4,17)18/h5H,6H2,1-4H3