ethyl 3,5-bis[4-(4-bromophenyl)buta-1,3-diynyl]-4-oxidanyl-benzoate

Systemtic Name: ethyl 3,5-bis[4-(4-bromophenyl)buta-1,3-diynyl]-4-oxidanyl-benzoate Openeye Name: ethyl 3,5-bis[4-(4-bromophenyl)buta-1,3-diynyl]-4-hydroxy-benzoate CAS Name: 3,5-bis[4-(4-bromophenyl)buta-1,3-diynyl]-4-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 3,5-bis[4-(4-bromophenyl)buta-1,3-diynyl]-4-hydroxybenzoate Traditional Name: 3,5-bis[4-(4-bromophenyl)buta-1,3-diynyl]-4-hydroxy-benzoic acid ethyl ester Formula: C29H16Br2O3 MolecularWeight: 572.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H16Br2O3/c1-2-34-29(33)25-19-23(9-5-3-7-21-11-15-26(30)16-12-21)28(32)24(20-25)10-6-4-8-22-13-17-27(31)18-14-22/h11-20,32H,2H2,1H3