4-azido-2-(12,12-dimethyl-13-oxidanyl-tridecan-3-yl)isoindole-1,3-dione

Systemtic Name: 4-azido-2-(12,12-dimethyl-13-oxidanyl-tridecan-3-yl)isoindole-1,3-dione Openeye Name: 4-azido-2-(1-ethyl-11-hydroxy-10,10-dimethyl-undecyl)isoindoline-1,3-dione CAS Name: 4-azido-2-(13-hydroxy-12,12-dimethyltridecan-3-yl)isoindole-1,3-dione IUPAC Name: 4-azido-2-(13-hydroxy-12,12-dimethyltridecan-3-yl)isoindole-1,3-dione Traditional Name: 4-azido-2-(1-ethyl-11-hydroxy-10,10-dimethyl-undecyl)isoindoline-1,3-quinone Formula: C23H34N4O3 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCC(C)(C)CO)N1C(=O)C2=C(C1=O)C(=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CCC(CCCCCCCCC(C)(C)CO)N1C(=O)C2=C(C1=O)C(=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C23H34N4O3/c1-4-17(12-9-7-5-6-8-10-15-23(2,3)16-28)27-21(29)18-13-11-14-19(25-26-24)20(18)22(27)30/h11,13-14,17,28H,4-10,12,15-16H2,1-3H3