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

Systemtic Name: ethyl 3,5-bis[4-(4-ethoxyphenyl)buta-1,3-diynyl]-4-oxidanyl-benzoate Openeye Name: ethyl 3,5-bis[4-(4-ethoxyphenyl)buta-1,3-diynyl]-4-hydroxy-benzoate CAS Name: 3,5-bis[4-(4-ethoxyphenyl)buta-1,3-diynyl]-4-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 3,5-bis[4-(4-ethoxyphenyl)buta-1,3-diynyl]-4-hydroxybenzoate Traditional Name: 4-hydroxy-3,5-bis(4-p-phenetylbuta-1,3-diynyl)benzoic acid ethyl ester Formula: C33H26O5 MolecularWeight: 502.55654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C#CC#CC2=CC(=CC(=C2O)C#CC#CC3=CC=C(C=C3)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C#CC#CC2=CC(=CC(=C2O)C#CC#CC3=CC=C(C=C3)OCC)C(=O)OCC

InChI

InChI=1S/C33H26O5/c1-4-36-30-19-15-25(16-20-30)11-7-9-13-27-23-29(33(35)38-6-3)24-28(32(27)34)14-10-8-12-26-17-21-31(22-18-26)37-5-2/h15-24,34H,4-6H2,1-3H3