3,5-dinitro-2-(1-phenylethyl)benzoate

Systemtic Name: 3,5-dinitro-2-(1-phenylethyl)benzoate Openeye Name: 3,5-dinitro-2-(1-phenylethyl)benzoate CAS Name: 3,5-dinitro-2-(1-phenylethyl)benzoate IUPAC Name: 3,5-dinitro-2-(1-phenylethyl)benzoate Traditional Name: 3,5-dinitro-2-(1-phenylethyl)benzoate Formula: C15H11N2O6- MolecularWeight: 315.25764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)C2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6/c1-9(10-5-3-2-4-6-10)14-12(15(18)19)7-11(16(20)21)8-13(14)17(22)23/h2-9H,1H3,(H,18,19)/p-1