methyl 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanoate

Systemtic Name: methyl 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanoate Openeye Name: methyl 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxyacetate CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxyacetate Traditional Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxyacetic acid methyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)OC

InChI

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