5-hexylisoindole-1,3-dione

Systemtic Name: 5-hexylisoindole-1,3-dione Openeye Name: 5-hexylisoindoline-1,3-dione CAS Name: 5-hexylisoindole-1,3-dione IUPAC Name: 5-hexylisoindole-1,3-dione Traditional Name: 5-hexylisoindoline-1,3-quinone Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)C(=O)NC2=O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)C(=O)NC2=O

InChI

InChI=1S/C14H17NO2/c1-2-3-4-5-6-10-7-8-11-12(9-10)14(17)15-13(11)16/h7-9H,2-6H2,1H3,(H,15,16,17)