ethyl 3-chloranyl-4-[4-(2-chloranyl-4-ethoxycarbonyl-phenyl)buta-1,3-diynyl]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[4-(2-chloranyl-4-ethoxycarbonyl-phenyl)buta-1,3-diynyl]benzoate Openeye Name: ethyl 3-chloro-4-[4-(2-chloro-4-ethoxycarbonyl-phenyl)buta-1,3-diynyl]benzoate CAS Name: 3-chloro-4-[4-(2-chloro-4-ethoxycarbonylphenyl)buta-1,3-diynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[4-(2-chloro-4-ethoxycarbonylphenyl)buta-1,3-diynyl]benzoate Traditional Name: 4-[4-(4-carbethoxy-2-chloro-phenyl)buta-1,3-diynyl]-3-chloro-benzoic acid ethyl ester Formula: C22H16Cl2O4 MolecularWeight: 415.26604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C#CC#CC2=C(C=C(C=C2)C(=O)OCC)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C#CC#CC2=C(C=C(C=C2)C(=O)OCC)Cl)Cl

InChI

InChI=1S/C22H16Cl2O4/c1-3-27-21(25)17-11-9-15(19(23)13-17)7-5-6-8-16-10-12-18(14-20(16)24)22(26)28-4-2/h9-14H,3-4H2,1-2H3