(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-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 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=O)OC3=CC4=C(CCC4)C=C23

InChI

InChI=1S/C22H20O6S/c1-13-6-7-17(29(2,25)26)11-18(13)22(24)27-12-16-10-21(23)28-20-9-15-5-3-4-14(15)8-19(16)20/h6-11H,3-5,12H2,1-2H3