(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H19ClO7 MolecularWeight: 418.82436

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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)Cl)OC)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClO7/c1-4-11-5-14-13(8-19(24)29-17(14)9-16(11)23)10-28-21(25)12-6-15(22)20(27-3)18(7-12)26-2/h5-9,23H,4,10H2,1-3H3