(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-ethylsulfonylbenzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-ethylsulfonylbenzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic 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=CC=CC=C3S(=O)(=O)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3S(=O)(=O)CC

InChI

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