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

Systemtic Name: ethyl 3,5-bis[2-(4-ethoxyphenyl)ethynyl]-4-oxidanyl-benzoate Openeye Name: ethyl 3,5-bis[2-(4-ethoxyphenyl)ethynyl]-4-hydroxy-benzoate CAS Name: 3,5-bis[2-(4-ethoxyphenyl)ethynyl]-4-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 3,5-bis[2-(4-ethoxyphenyl)ethynyl]-4-hydroxybenzoate Traditional Name: 4-hydroxy-3,5-bis(2-p-phenetylethynyl)benzoic acid ethyl ester Formula: C29H26O5 MolecularWeight: 454.51374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26O5/c1-4-32-26-15-9-21(10-16-26)7-13-23-19-25(29(31)34-6-3)20-24(28(23)30)14-8-22-11-17-27(18-12-22)33-5-2/h9-12,15-20,30H,4-6H2,1-3H3