1-[3-bromanyl-2,4-dinitro-6-(trifluoromethyl)phenyl]-5-butyl-naphthalene

Systemtic Name: 1-[3-bromanyl-2,4-dinitro-6-(trifluoromethyl)phenyl]-5-butyl-naphthalene Openeye Name: 1-[3-bromo-2,4-dinitro-6-(trifluoromethyl)phenyl]-5-butyl-naphthalene CAS Name: 1-[3-bromo-2,4-dinitro-6-(trifluoromethyl)phenyl]-5-butylnaphthalene IUPAC Name: 1-[3-bromo-2,4-dinitro-6-(trifluoromethyl)phenyl]-5-butylnaphthalene Traditional Name: 1-[3-bromo-2,4-dinitro-6-(trifluoromethyl)phenyl]-5-butyl-naphthalene Formula: C21H16BrF3N2O4 MolecularWeight: 497.26195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1C=CC=C2C3=C(C(=C(C=C3C(F)(F)F)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC2=C1C=CC=C2C3=C(C(=C(C=C3C(F)(F)F)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrF3N2O4/c1-2-3-6-12-7-4-9-14-13(12)8-5-10-15(14)18-16(21(23,24)25)11-17(26(28)29)19(22)20(18)27(30)31/h4-5,7-11H,2-3,6H2,1H3