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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-methylpropoxy)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic 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-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic 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:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)OCC(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)OCC(C)C)Cl

InChI

InChI=1S/C22H21ClO5/c1-13(2)11-26-17-6-4-15(5-7-17)22(25)27-12-16-9-21(24)28-20-8-14(3)19(23)10-18(16)20/h4-10,13H,11-12H2,1-3H3