methyl 4-[2,6-bis(chloranyl)phenyl]-5-oxidanylidene-5-(3-phenylmethoxyphenyl)pentanoate

Systemtic Name: methyl 4-[2,6-bis(chloranyl)phenyl]-5-oxidanylidene-5-(3-phenylmethoxyphenyl)pentanoate Openeye Name: methyl 5-(3-benzyloxyphenyl)-4-(2,6-dichlorophenyl)-5-oxo-pentanoate CAS Name: 4-(2,6-dichlorophenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoic acid methyl ester IUPAC Name: methyl 4-(2,6-dichlorophenyl)-5-oxo-5-(3-phenylmethoxyphenyl)pentanoate Traditional Name: 5-(3-benzoxyphenyl)-4-(2,6-dichlorophenyl)-5-keto-valeric acid methyl ester Formula: C25H22Cl2O4 MolecularWeight: 457.34578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C1=C(C=CC=C1Cl)Cl)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(C1=C(C=CC=C1Cl)Cl)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H22Cl2O4/c1-30-23(28)14-13-20(24-21(26)11-6-12-22(24)27)25(29)18-9-5-10-19(15-18)31-16-17-7-3-2-4-8-17/h2-12,15,20H,13-14,16H2,1H3