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

Systemtic Name: ethyl 3,5-bis[4-(4-methylphenyl)buta-1,3-diynyl]-4-oxidanyl-benzoate Openeye Name: ethyl 4-hydroxy-3,5-bis[4-(p-tolyl)buta-1,3-diynyl]benzoate CAS Name: 4-hydroxy-3,5-bis[4-(4-methylphenyl)buta-1,3-diynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3,5-bis[4-(4-methylphenyl)buta-1,3-diynyl]benzoate Traditional Name: 4-hydroxy-3,5-bis[4-(p-tolyl)buta-1,3-diynyl]benzoic acid ethyl ester Formula: C31H22O3 MolecularWeight: 442.50458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H22O3/c1-4-34-31(33)29-21-27(11-7-5-9-25-17-13-23(2)14-18-25)30(32)28(22-29)12-8-6-10-26-19-15-24(3)16-20-26/h13-22,32H,4H2,1-3H3