1,6-bis(3,5-ditert-butylphenyl)hexa-1,5-diyne-3,4-dione

Systemtic Name: 1,6-bis(3,5-ditert-butylphenyl)hexa-1,5-diyne-3,4-dione Openeye Name: 1,6-bis(3,5-ditert-butylphenyl)hexa-1,5-diyne-3,4-dione CAS Name: 1,6-bis(3,5-ditert-butylphenyl)hexa-1,5-diyne-3,4-dione IUPAC Name: 1,6-bis(3,5-ditert-butylphenyl)hexa-1,5-diyne-3,4-dione Traditional Name: 1,6-bis(3,5-ditert-butylphenyl)hexa-1,5-diyne-3,4-dione Formula: C34H42O2 MolecularWeight: 482.69608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C#CC(=O)C(=O)C#CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C#CC(=O)C(=O)C#CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C34H42O2/c1-31(2,3)25-17-23(18-26(21-25)32(4,5)6)13-15-29(35)30(36)16-14-24-19-27(33(7,8)9)22-28(20-24)34(10,11)12/h17-22H,1-12H3