2-(2,6,6-trimethylhept-4-yn-3-yl)isoindole-1,3-dione

Systemtic Name: 2-(2,6,6-trimethylhept-4-yn-3-yl)isoindole-1,3-dione Openeye Name: 2-(1-isopropyl-4,4-dimethyl-pent-2-ynyl)isoindoline-1,3-dione CAS Name: 2-(2,6,6-trimethylhept-4-yn-3-yl)isoindole-1,3-dione IUPAC Name: 2-(2,6,6-trimethylhept-4-yn-3-yl)isoindole-1,3-dione Traditional Name: 2-(1-isopropyl-4,4-dimethyl-pent-2-ynyl)isoindoline-1,3-quinone Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC(C)(C)C)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)C(C#CC(C)(C)C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C18H21NO2/c1-12(2)15(10-11-18(3,4)5)19-16(20)13-8-6-7-9-14(13)17(19)21/h6-9,12,15H,1-5H3