hexadeca-1,3,5,7,9,11,13,15-octaynyl 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: hexadeca-1,3,5,7,9,11,13,15-octaynyl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: hexadeca-1,3,5,7,9,11,13,15-octaynyl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid hexadeca-1,3,5,7,9,11,13,15-octaynyl ester IUPAC Name: hexadeca-1,3,5,7,9,11,13,15-octaynyl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid hexadeca-1,3,5,7,9,11,13,15-octaynyl ester Formula: C31H22O3 MolecularWeight: 442.50458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC#CC#CC#CC#CC#CC#CC#CC#C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC#CC#CC#CC#CC#CC#CC#CC#C

InChI

InChI=1S/C31H22O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h1,23-24,32H,2-7H3