[(2S)-2-methylbutyl] 3,5-dinitrobenzoate

Systemtic Name: [(2S)-2-methylbutyl] 3,5-dinitrobenzoate Openeye Name: [(2S)-2-methylbutyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2S)-2-methylbutyl] ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-3-8(2)7-20-12(15)9-4-10(13(16)17)6-11(5-9)14(18)19/h4-6,8H,3,7H2,1-2H3/t8-/m0/s1