1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-one

Systemtic Name: 1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-one Openeye Name: 1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-one CAS Name: 1,5-bis(2,6-dimethylphenyl)-3-penta-1,4-diynone IUPAC Name: 1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-one Traditional Name: 1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-one Formula: C21H18O MolecularWeight: 286.36702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C#CC(=O)C#CC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C#CC(=O)C#CC2=C(C=CC=C2C)C

InChI

InChI=1S/C21H18O/c1-15-7-5-8-16(2)20(15)13-11-19(22)12-14-21-17(3)9-6-10-18(21)4/h5-10H,1-4H3