(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-methoxybenzoate

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-methoxybenzoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C21H19ClO5 MolecularWeight: 386.82556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H19ClO5/c1-3-4-6-13-10-20(23)26-18-12-19(17(22)11-16(13)18)27-21(24)14-7-5-8-15(9-14)25-2/h5,7-12H,3-4,6H2,1-2H3