2-[(2R)-octan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R)-octan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-methylheptyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-octan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-octan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-methylheptyl]isoindoline-1,3-quinone Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-3-4-5-6-9-12(2)17-15(18)13-10-7-8-11-14(13)16(17)19/h7-8,10-12H,3-6,9H2,1-2H3/t12-/m1/s1