2,2-bis(2,4-dinitrophenyl)butanoate

Systemtic Name: 2,2-bis(2,4-dinitrophenyl)butanoate Openeye Name: 2,2-bis(2,4-dinitrophenyl)butanoate CAS Name: 2,2-bis(2,4-dinitrophenyl)butanoate IUPAC Name: 2,2-bis(2,4-dinitrophenyl)butanoate Traditional Name: 2,2-bis(2,4-dinitrophenyl)butyrate Formula: C16H11N4O10- MolecularWeight: 419.27934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H12N4O10/c1-2-16(15(21)22,11-5-3-9(17(23)24)7-13(11)19(27)28)12-6-4-10(18(25)26)8-14(12)20(29)30/h3-8H,2H2,1H3,(H,21,22)/p-1