4-(3,3,5-triethylcyclohexyl)isoindole-1,3-dione

Systemtic Name: 4-(3,3,5-triethylcyclohexyl)isoindole-1,3-dione Openeye Name: 4-(3,3,5-triethylcyclohexyl)isoindoline-1,3-dione CAS Name: 4-(3,3,5-triethylcyclohexyl)isoindole-1,3-dione IUPAC Name: 4-(3,3,5-triethylcyclohexyl)isoindole-1,3-dione Traditional Name: 4-(3,3,5-triethylcyclohexyl)isoindoline-1,3-quinone Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CC(C1)(CC)CC)C2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

CCC1CC(CC(C1)(CC)CC)C2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C20H27NO2/c1-4-13-10-14(12-20(5-2,6-3)11-13)15-8-7-9-16-17(15)19(23)21-18(16)22/h7-9,13-14H,4-6,10-12H2,1-3H3,(H,21,22,23)