(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C21H20O6S/c1-12-5-6-16(28(4,24)25)10-17(12)21(23)26-11-15-9-20(22)27-19-8-14(3)13(2)7-18(15)19/h5-10H,11H2,1-4H3