(2,4-dinitro-6-octan-2-yl-phenyl) 2-chloranylbutanoate

Systemtic Name: (2,4-dinitro-6-octan-2-yl-phenyl) 2-chloranylbutanoate Openeye Name: [2-(1-methylheptyl)-4,6-dinitro-phenyl] 2-chlorobutanoate CAS Name: 2-chlorobutanoic acid (2,4-dinitro-6-octan-2-ylphenyl) ester IUPAC Name: (2,4-dinitro-6-octan-2-ylphenyl) 2-chlorobutanoate Traditional Name: 2-chlorobutyric acid [2-(1-methylheptyl)-4,6-dinitro-phenyl] ester Formula: C18H25ClN2O6 MolecularWeight: 400.8539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C(CC)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)C1=CC(=CC(=C1OC(=O)C(CC)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H25ClN2O6/c1-4-6-7-8-9-12(3)14-10-13(20(23)24)11-16(21(25)26)17(14)27-18(22)15(19)5-2/h10-12,15H,4-9H2,1-3H3