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

Systemtic Name: ethyl 4-(2-methoxyethoxymethoxy)-3,5-bis[2-(4-methylphenyl)ethynyl]benzoate Openeye Name: ethyl 4-(2-methoxyethoxymethoxy)-3,5-bis[2-(p-tolyl)ethynyl]benzoate CAS Name: 4-(2-methoxyethoxymethoxy)-3,5-bis[2-(4-methylphenyl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethoxymethoxy)-3,5-bis[2-(4-methylphenyl)ethynyl]benzoate Traditional Name: 4-(2-methoxyethoxymethoxy)-3,5-bis[2-(p-tolyl)ethynyl]benzoic acid ethyl ester Formula: C31H30O5 MolecularWeight: 482.5669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30O5/c1-5-35-31(32)29-20-27(16-14-25-10-6-23(2)7-11-25)30(36-22-34-19-18-33-4)28(21-29)17-15-26-12-8-24(3)9-13-26/h6-13,20-21H,5,18-19,22H2,1-4H3