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

Systemtic Name: 1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-ol Openeye Name: 1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-ol CAS Name: 1,5-bis(2,6-dimethylphenyl)-3-penta-1,4-diynol IUPAC Name: 1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-ol Traditional Name: 1,5-bis(2,6-dimethylphenyl)penta-1,4-diyn-3-ol Formula: C21H20O MolecularWeight: 288.3829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O/c1-15-7-5-8-16(2)20(15)13-11-19(22)12-14-21-17(3)9-6-10-18(21)4/h5-10,19,22H,1-4H3