[2,6-dinitro-4-(trifluoromethyl)phenyl] 4-pentylbenzoate

Systemtic Name: [2,6-dinitro-4-(trifluoromethyl)phenyl] 4-pentylbenzoate Openeye Name: [2,6-dinitro-4-(trifluoromethyl)phenyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [2,6-dinitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2,6-dinitro-4-(trifluoromethyl)phenyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [2,6-dinitro-4-(trifluoromethyl)phenyl] ester Formula: C19H17F3N2O6 MolecularWeight: 426.34329

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N2O6/c1-2-3-4-5-12-6-8-13(9-7-12)18(25)30-17-15(23(26)27)10-14(19(20,21)22)11-16(17)24(28)29/h6-11H,2-5H2,1H3