butyl 2,4,6-trinitrobenzoate

Systemtic Name: butyl 2,4,6-trinitrobenzoate Openeye Name: butyl 2,4,6-trinitrobenzoate CAS Name: 2,4,6-trinitrobenzoic acid butyl ester IUPAC Name: butyl 2,4,6-trinitrobenzoate Traditional Name: 2,4,6-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/c1-2-3-4-22-11(15)10-8(13(18)19)5-7(12(16)17)6-9(10)14(20)21/h5-6H,2-4H2,1H3