2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-4-hexylimino-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-4-hexylimino-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-4-hexylimino-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyl)-4-hexyliminobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4,4-dimethyl-2,6-dioxocyclohexyl)-4-hexyliminobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(2,6-diketo-4,4-dimethyl-cyclohexyl)-4-hexylimino-butyl]isoindoline-1,3-quinone Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C(CCCN1C(=O)C2=CC=CC=C2C1=O)C3C(=O)CC(CC3=O)(C)C

Isomeric SMILES

CCCCCCN=C(CCCN1C(=O)C2=CC=CC=C2C1=O)C3C(=O)CC(CC3=O)(C)C

InChI

InChI=1S/C26H34N2O4/c1-4-5-6-9-14-27-20(23-21(29)16-26(2,3)17-22(23)30)13-10-15-28-24(31)18-11-7-8-12-19(18)25(28)32/h7-8,11-12,23H,4-6,9-10,13-17H2,1-3H3