ethyl 4-[2-(3,3-dimethylbut-1-ynyl)phenyl]-4-oxidanylidene-but-2-ynoate

Systemtic Name: ethyl 4-[2-(3,3-dimethylbut-1-ynyl)phenyl]-4-oxidanylidene-but-2-ynoate Openeye Name: ethyl 4-[2-(3,3-dimethylbut-1-ynyl)phenyl]-4-oxo-but-2-ynoate CAS Name: 4-[2-(3,3-dimethylbut-1-ynyl)phenyl]-4-oxo-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,3-dimethylbut-1-ynyl)phenyl]-4-oxobut-2-ynoate Traditional Name: 4-[2-(3,3-dimethylbut-1-ynyl)phenyl]-4-keto-but-2-ynoic acid ethyl ester Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(=O)C1=CC=CC=C1C#CC(C)(C)C

Isomeric SMILES

CCOC(=O)C#CC(=O)C1=CC=CC=C1C#CC(C)(C)C

InChI

InChI=1S/C18H18O3/c1-5-21-17(20)11-10-16(19)15-9-7-6-8-14(15)12-13-18(2,3)4/h6-9H,5H2,1-4H3