(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-butoxybenzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-butoxybenzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C22H21ClO5/c1-3-4-9-26-17-7-5-15(6-8-17)22(25)27-13-16-11-21(24)28-20-10-14(2)19(23)12-18(16)20/h5-8,10-12H,3-4,9,13H2,1-2H3