ethyl 3-(3,4-dimethoxyphenyl)-7-methylsulfonyloxy-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(3,4-dimethoxyphenyl)-7-methylsulfonyloxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(3,4-dimethoxyphenyl)-7-methylsulfonyloxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-7-methylsulfonyloxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,4-dimethoxyphenyl)-7-methylsulfonyloxy-4-oxochromene-2-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-7-methylsulfonyloxy-chromene-2-carboxylic acid ethyl ester Formula: C21H20O9S MolecularWeight: 448.4431

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H20O9S/c1-5-28-21(23)20-18(12-6-9-15(26-2)17(10-12)27-3)19(22)14-8-7-13(11-16(14)29-20)30-31(4,24)25/h6-11H,5H2,1-4H3