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

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 3-(methylsulfonylmethyl)benzoate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

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