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

Systemtic Name: 3,5-dinitro-4-propyl-benzoic acid Openeye Name: 3,5-dinitro-4-propyl-benzoic acid CAS Name: 3,5-dinitro-4-propylbenzoic acid IUPAC Name: 3,5-dinitro-4-propylbenzoic acid Traditional Name: 3,5-dinitro-4-propyl-benzoic acid Formula: C10H10N2O6 MolecularWeight: 254.1962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O6/c1-2-3-7-8(11(15)16)4-6(10(13)14)5-9(7)12(17)18/h4-5H,2-3H2,1H3,(H,13,14)