(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

InChI

InChI=1S/C21H18O6S/c1-28(24,25)17-7-3-6-15(8-17)21(23)26-12-16-11-20(22)27-19-10-14-5-2-4-13(14)9-18(16)19/h3,6-11H,2,4-5,12H2,1H3