(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H19FO6S MolecularWeight: 418.435363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H19FO6S/c1-13-3-8-18-15(11-20(24)28-21(18)14(13)2)12-27-19(23)9-10-29(25,26)17-6-4-16(22)5-7-17/h3-8,11H,9-10,12H2,1-2H3