3,5,5-trimethylhexyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: 3,5,5-trimethylhexyl 5-nitro-2-oxidanyl-benzoate Openeye Name: 3,5,5-trimethylhexyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid 3,5,5-trimethylhexyl ester Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O)CC(C)(C)C

Isomeric SMILES

CC(CCOC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O)CC(C)(C)C

InChI

InChI=1S/C16H23NO5/c1-11(10-16(2,3)4)7-8-22-15(19)13-9-12(17(20)21)5-6-14(13)18/h5-6,9,11,18H,7-8,10H2,1-4H3