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3,5-dinitro-2-octyl-benzoic acid

3,5-dinitro-2-octyl-benzoic acid

Systemtic Name:3,5-dinitro-2-octyl-benzoic acid
Openeye Name:3,5-dinitro-2-octyl-benzoic acid
CAS Name:3,5-dinitro-2-octylbenzoic acid
IUPAC Name:3,5-dinitro-2-octylbenzoic acid
Traditional Name:3,5-dinitro-2-octyl-benzoic acid
Formula: C15H20N2O6
MolecularWeight: 324.3291
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H20N2O6/c1-2-3-4-5-6-7-8-12-13(15(18)19)9-11(16(20)21)10-14(12)17(22)23/h9-10H,2-8H2,1H3,(H,18,19)


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