[(2S)-octan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2S)-octan-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1S)-1-methylheptyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S)-octan-2-yl] ester IUPAC Name: [(2S)-octan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S)-1-methylheptyl] ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@H](C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O6/c1-3-4-5-6-7-11(2)23-15(18)12-8-13(16(19)20)10-14(9-12)17(21)22/h8-11H,3-7H2,1-2H3/t11-/m0/s1