(4-ethyl-2-oxidanylidene-chromen-7-yl) 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-ethyl-2-oxidanylidene-chromen-7-yl) 3-(methylsulfonylmethyl)benzoate Openeye Name: (4-ethyl-2-oxo-chromen-7-yl) 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-ethyl-2-oxochromen-7-yl) 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (4-ethyl-2-keto-chromen-7-yl) ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C20H18O6S/c1-3-14-10-19(21)26-18-11-16(7-8-17(14)18)25-20(22)15-6-4-5-13(9-15)12-27(2,23)24/h4-11H,3,12H2,1-2H3