butyl 2,3,4-trinitrobenzoate

Systemtic Name: butyl 2,3,4-trinitrobenzoate Openeye Name: butyl 2,3,4-trinitrobenzoate CAS Name: 2,3,4-trinitrobenzoic acid butyl ester IUPAC Name: butyl 2,3,4-trinitrobenzoate Traditional Name: 2,3,4-trinitrobenzoic acid butyl ester Formula: C11H11N3O8 MolecularWeight: 313.22034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O8/c1-2-3-6-22-11(15)7-4-5-8(12(16)17)10(14(20)21)9(7)13(18)19/h4-5H,2-3,6H2,1H3