(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)C

InChI

InChI=1S/C21H20O6S/c1-13-4-9-18-17(10-19(22)27-20(18)14(13)2)11-26-21(23)16-7-5-15(6-8-16)12-28(3,24)25/h4-10H,11-12H2,1-3H3