4-hex-4-ynylisoindole-1,3-dione

Systemtic Name: 4-hex-4-ynylisoindole-1,3-dione Openeye Name: 4-hex-4-ynylisoindoline-1,3-dione CAS Name: 4-hex-4-ynylisoindole-1,3-dione IUPAC Name: 4-hex-4-ynylisoindole-1,3-dione Traditional Name: 4-hex-4-ynylisoindoline-1,3-quinone Formula: C14H13NO2 MolecularWeight: 227.25852

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCC1=CC=CC2=C1C(=O)NC2=O

Isomeric SMILES

CC#CCCCC1=CC=CC2=C1C(=O)NC2=O

InChI

InChI=1S/C14H13NO2/c1-2-3-4-5-7-10-8-6-9-11-12(10)14(17)15-13(11)16/h6,8-9H,4-5,7H2,1H3,(H,15,16,17)