1,5-bis(3,5-ditert-butylphenyl)penta-1,4-diyn-3-one

Systemtic Name: 1,5-bis(3,5-ditert-butylphenyl)penta-1,4-diyn-3-one Openeye Name: 1,5-bis(3,5-ditert-butylphenyl)penta-1,4-diyn-3-one CAS Name: 1,5-bis(3,5-ditert-butylphenyl)-3-penta-1,4-diynone IUPAC Name: 1,5-bis(3,5-ditert-butylphenyl)penta-1,4-diyn-3-one Traditional Name: 1,5-bis(3,5-ditert-butylphenyl)penta-1,4-diyn-3-one Formula: C33H42O MolecularWeight: 454.68598

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H42O/c1-30(2,3)25-17-23(18-26(21-25)31(4,5)6)13-15-29(34)16-14-24-19-27(32(7,8)9)22-28(20-24)33(10,11)12/h17-22H,1-12H3