4-chloranyl-3,5-dinitro-2-octyl-benzoate

Systemtic Name: 4-chloranyl-3,5-dinitro-2-octyl-benzoate Openeye Name: 4-chloro-3,5-dinitro-2-octyl-benzoate CAS Name: 4-chloro-3,5-dinitro-2-octylbenzoate IUPAC Name: 4-chloro-3,5-dinitro-2-octylbenzoate Traditional Name: 4-chloro-3,5-dinitro-2-octyl-benzoate Formula: C15H18ClN2O6- MolecularWeight: 357.76622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H19ClN2O6/c1-2-3-4-5-6-7-8-10-11(15(19)20)9-12(17(21)22)13(16)14(10)18(23)24/h9H,2-8H2,1H3,(H,19,20)/p-1