methyl 2-chloranyl-4-[4-(3-chloranyl-4-methoxycarbonyl-phenyl)buta-1,3-diynyl]benzoate

Systemtic Name: methyl 2-chloranyl-4-[4-(3-chloranyl-4-methoxycarbonyl-phenyl)buta-1,3-diynyl]benzoate Openeye Name: methyl 2-chloro-4-[4-(3-chloro-4-methoxycarbonyl-phenyl)buta-1,3-diynyl]benzoate CAS Name: 2-chloro-4-[4-(3-chloro-4-methoxycarbonylphenyl)buta-1,3-diynyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-[4-(3-chloro-4-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate Traditional Name: 4-[4-(4-carbomethoxy-3-chloro-phenyl)buta-1,3-diynyl]-2-chloro-benzoic acid methyl ester Formula: C20H12Cl2O4 MolecularWeight: 387.21288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C#CC#CC2=CC(=C(C=C2)C(=O)OC)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C#CC#CC2=CC(=C(C=C2)C(=O)OC)Cl)Cl

InChI

InChI=1S/C20H12Cl2O4/c1-25-19(23)15-9-7-13(11-17(15)21)5-3-4-6-14-8-10-16(18(22)12-14)20(24)26-2/h7-12H,1-2H3