4-chloranyl-3,5-dinitro-2-propyl-benzoic acid

Systemtic Name: 4-chloranyl-3,5-dinitro-2-propyl-benzoic acid Openeye Name: 4-chloro-3,5-dinitro-2-propyl-benzoic acid CAS Name: 4-chloro-3,5-dinitro-2-propylbenzoic acid IUPAC Name: 4-chloro-3,5-dinitro-2-propylbenzoic acid Traditional Name: 4-chloro-3,5-dinitro-2-propyl-benzoic acid Formula: C10H9ClN2O6 MolecularWeight: 288.64126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H9ClN2O6/c1-2-3-5-6(10(14)15)4-7(12(16)17)8(11)9(5)13(18)19/h4H,2-3H2,1H3,(H,14,15)