(3,3-dimethyl-5-tricosa-10,12-diynoyloxy-pentyl) tricosa-10,12-diynoate

Systemtic Name: (3,3-dimethyl-5-tricosa-10,12-diynoyloxy-pentyl) tricosa-10,12-diynoate Openeye Name: (3,3-dimethyl-5-tricosa-10,12-diynoyloxy-pentyl) tricosa-10,12-diynoate CAS Name: tricosa-10,12-diynoic acid [3,3-dimethyl-5-(1-oxotricosa-10,12-diynoxy)pentyl] ester IUPAC Name: (3,3-dimethyl-5-tricosa-10,12-diynoyloxypentyl) tricosa-10,12-diynoate Traditional Name: tricosa-10,12-diynoic acid (3,3-dimethyl-5-tricosa-10,12-diynoyloxy-pentyl) ester Formula: C53H88O4 MolecularWeight: 789.26342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCCC(C)(C)CCOC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCCC(C)(C)CCOC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

InChI

InChI=1S/C53H88O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51(54)56-49-47-53(3,4)48-50-57-52(55)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-22,31-50H2,1-4H3