(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H18O7S MolecularWeight: 402.41772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)O

InChI

InChI=1S/C20H18O7S/c1-12-17(21)7-6-16-15(9-18(22)27-19(12)16)10-26-20(23)14-5-3-4-13(8-14)11-28(2,24)25/h3-9,21H,10-11H2,1-2H3