(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(methylsulfonylmethyl)benzoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3

InChI

InChI=1S/C21H18O6S/c1-28(24,25)12-13-4-2-5-14(10-13)20(22)26-15-8-9-17-16-6-3-7-18(16)21(23)27-19(17)11-15/h2,4-5,8-11H,3,6-7,12H2,1H3