ethyl 3,5-bis[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-4-oxidanyl-benzoate

Systemtic Name: ethyl 3,5-bis[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-4-oxidanyl-benzoate Openeye Name: ethyl 3,5-bis[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-4-hydroxy-benzoate CAS Name: 3,5-bis[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-4-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 3,5-bis[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-4-hydroxybenzoate Traditional Name: 4-hydroxy-3,5-bis[4-(2-p-phenetylethynyl)phenyl]benzoic acid ethyl ester Formula: C41H34O5 MolecularWeight: 606.70566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC(=CC(=C3O)C4=CC=C(C=C4)C#CC5=CC=C(C=C5)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC(=CC(=C3O)C4=CC=C(C=C4)C#CC5=CC=C(C=C5)OCC)C(=O)OCC

InChI

InChI=1S/C41H34O5/c1-4-44-36-23-15-31(16-24-36)9-7-29-11-19-33(20-12-29)38-27-35(41(43)46-6-3)28-39(40(38)42)34-21-13-30(14-22-34)8-10-32-17-25-37(26-18-32)45-5-2/h11-28,42H,4-6H2,1-3H3