4-oxidanylbutyl 3,5-dinitrobenzoate

Systemtic Name: 4-oxidanylbutyl 3,5-dinitrobenzoate Openeye Name: 4-hydroxybutyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 4-hydroxybutyl ester Formula: C11H12N2O7 MolecularWeight: 284.22218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O7/c14-3-1-2-4-20-11(15)8-5-9(12(16)17)7-10(6-8)13(18)19/h5-7,14H,1-4H2