(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H20O7S MolecularWeight: 416.4443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C)O

InChI

InChI=1S/C21H20O7S/c1-3-14-8-17-16(9-20(23)28-19(17)10-18(14)22)11-27-21(24)15-6-4-13(5-7-15)12-29(2,25)26/h4-10,22H,3,11-12H2,1-2H3