ethyl 3,5-bis[2-(4-bromophenyl)ethynyl]-4-(2-methoxyethoxymethoxy)benzoate

Systemtic Name: ethyl 3,5-bis[2-(4-bromophenyl)ethynyl]-4-(2-methoxyethoxymethoxy)benzoate Openeye Name: ethyl 3,5-bis[2-(4-bromophenyl)ethynyl]-4-(2-methoxyethoxymethoxy)benzoate CAS Name: 3,5-bis[2-(4-bromophenyl)ethynyl]-4-(2-methoxyethoxymethoxy)benzoic acid ethyl ester IUPAC Name: ethyl 3,5-bis[2-(4-bromophenyl)ethynyl]-4-(2-methoxyethoxymethoxy)benzoate Traditional Name: 3,5-bis[2-(4-bromophenyl)ethynyl]-4-(2-methoxyethoxymethoxy)benzoic acid ethyl ester Formula: C29H24Br2O5 MolecularWeight: 612.30586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C#CC2=CC=C(C=C2)Br)OCOCCOC)C#CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)C#CC2=CC=C(C=C2)Br)OCOCCOC)C#CC3=CC=C(C=C3)Br

InChI

InChI=1S/C29H24Br2O5/c1-3-35-29(32)25-18-23(10-4-21-6-12-26(30)13-7-21)28(36-20-34-17-16-33-2)24(19-25)11-5-22-8-14-27(31)15-9-22/h6-9,12-15,18-19H,3,16-17,20H2,1-2H3