(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

InChI

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