2-[8-(1-adamantyl)-8-oxidanylidene-octyl]isoindole-1,3-dione

Systemtic Name: 2-[8-(1-adamantyl)-8-oxidanylidene-octyl]isoindole-1,3-dione Openeye Name: 2-[8-(1-adamantyl)-8-oxo-octyl]isoindoline-1,3-dione CAS Name: 2-[8-(1-adamantyl)-8-oxooctyl]isoindole-1,3-dione IUPAC Name: 2-[8-(1-adamantyl)-8-oxooctyl]isoindole-1,3-dione Traditional Name: 2-[8-(1-adamantyl)-8-keto-octyl]isoindoline-1,3-quinone Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CCCCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CCCCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H33NO3/c28-23(26-15-18-12-19(16-26)14-20(13-18)17-26)10-4-2-1-3-7-11-27-24(29)21-8-5-6-9-22(21)25(27)30/h5-6,8-9,18-20H,1-4,7,10-17H2