2-(1-ethynylcyclohexyl)isoindole-1,3-dione

Systemtic Name: 2-(1-ethynylcyclohexyl)isoindole-1,3-dione Openeye Name: 2-(1-ethynylcyclohexyl)isoindoline-1,3-dione CAS Name: 2-(1-ethynylcyclohexyl)isoindole-1,3-dione IUPAC Name: 2-(1-ethynylcyclohexyl)isoindole-1,3-dione Traditional Name: 2-(1-ethynylcyclohexyl)isoindoline-1,3-quinone Formula: C16H15NO2 MolecularWeight: 253.2958

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C#CC1(CCCCC1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H15NO2/c1-2-16(10-6-3-7-11-16)17-14(18)12-8-4-5-9-13(12)15(17)19/h1,4-5,8-9H,3,6-7,10-11H2