(3,5-diethynylphenyl) 3,5-bis(phenylmethoxy)benzoate

Systemtic Name: (3,5-diethynylphenyl) 3,5-bis(phenylmethoxy)benzoate Openeye Name: (3,5-diethynylphenyl) 3,5-dibenzyloxybenzoate CAS Name: 3,5-bis(phenylmethoxy)benzoic acid (3,5-diethynylphenyl) ester IUPAC Name: (3,5-diethynylphenyl) 3,5-bis(phenylmethoxy)benzoate Traditional Name: 3,5-dibenzoxybenzoic acid (3,5-diethynylphenyl) ester Formula: C31H22O4 MolecularWeight: 458.50398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1)OC(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C#C

Isomeric SMILES

C#CC1=CC(=CC(=C1)OC(=O)C2=CC(=CC(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C#C

InChI

InChI=1S/C31H22O4/c1-3-23-15-24(4-2)17-30(16-23)35-31(32)27-18-28(33-21-25-11-7-5-8-12-25)20-29(19-27)34-22-26-13-9-6-10-14-26/h1-2,5-20H,21-22H2