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

Systemtic Name: 2-(12,12-dimethyl-13-oxidanyl-tridecan-3-yl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(1-ethyl-11-hydroxy-10,10-dimethyl-undecyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(13-hydroxy-12,12-dimethyltridecan-3-yl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(13-hydroxy-12,12-dimethyltridecan-3-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(1-ethyl-11-hydroxy-10,10-dimethyl-undecyl)-4-nitro-isoindoline-1,3-quinone Formula: C23H34N2O5 MolecularWeight: 418.52646

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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+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-4-17(12-9-7-5-6-8-10-15-23(2,3)16-26)24-21(27)18-13-11-14-19(25(29)30)20(18)22(24)28/h11,13-14,17,26H,4-10,12,15-16H2,1-3H3