(5-ethanoyl-2-ethoxy-phenyl)methyl 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H17ClO6 MolecularWeight: 400.80908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H17ClO6/c1-3-26-18-6-4-13(12(2)23)8-14(18)11-27-21(25)20-10-17(24)16-9-15(22)5-7-19(16)28-20/h4-10H,3,11H2,1-2H3