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2-(1-chloranylhexan-3-yl)-1,3-dinitro-5-(trifluoromethyl)benzene

2-(1-chloranylhexan-3-yl)-1,3-dinitro-5-(trifluoromethyl)benzene

Systemtic Name:2-(1-chloranylhexan-3-yl)-1,3-dinitro-5-(trifluoromethyl)benzene
Openeye Name:2-[1-(2-chloroethyl)butyl]-1,3-dinitro-5-(trifluoromethyl)benzene
CAS Name:2-(1-chlorohexan-3-yl)-1,3-dinitro-5-(trifluoromethyl)benzene
IUPAC Name:2-(1-chlorohexan-3-yl)-1,3-dinitro-5-(trifluoromethyl)benzene
Traditional Name:2-[1-(2-chloroethyl)butyl]-1,3-dinitro-5-(trifluoromethyl)benzene
Formula: C13H14ClF3N2O4
MolecularWeight: 354.70947
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

CCCC(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C13H14ClF3N2O4/c1-2-3-8(4-5-14)12-10(18(20)21)6-9(13(15,16)17)7-11(12)19(22)23/h6-8H,2-5H2,1H3


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