bis(phenylmethyl) 2,2-bis(3-phenylprop-2-ynyl)propanedioate

Systemtic Name: bis(phenylmethyl) 2,2-bis(3-phenylprop-2-ynyl)propanedioate Openeye Name: dibenzyl 2,2-bis(3-phenylprop-2-ynyl)propanedioate CAS Name: 2,2-bis(3-phenylprop-2-ynyl)propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2,2-bis(3-phenylprop-2-ynyl)propanedioate Traditional Name: 2,2-bis(3-phenylprop-2-ynyl)malonic acid dibenzyl ester Formula: C35H28O4 MolecularWeight: 512.59442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC#CC2=CC=CC=C2)(CC#CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC#CC2=CC=CC=C2)(CC#CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H28O4/c36-33(38-27-31-19-9-3-10-20-31)35(25-13-23-29-15-5-1-6-16-29,26-14-24-30-17-7-2-8-18-30)34(37)39-28-32-21-11-4-12-22-32/h1-12,15-22H,25-28H2