2-[(2S)-but-3-yn-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-but-3-yn-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-methylprop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-but-3-yn-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-but-3-yn-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-methylprop-2-ynyl]isoindoline-1,3-quinone Formula: C12H9NO2 MolecularWeight: 199.20536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C#C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H9NO2/c1-3-8(2)13-11(14)9-6-4-5-7-10(9)12(13)15/h1,4-8H,2H3/t8-/m0/s1