2-(4-chloranyl-3,5-dinitro-phenyl)ethanoic acid

Systemtic Name: 2-(4-chloranyl-3,5-dinitro-phenyl)ethanoic acid Openeye Name: 2-(4-chloro-3,5-dinitro-phenyl)acetic acid CAS Name: 2-(4-chloro-3,5-dinitrophenyl)acetic acid IUPAC Name: 2-(4-chloro-3,5-dinitrophenyl)acetic acid Traditional Name: 2-(4-chloro-3,5-dinitro-phenyl)acetic acid Formula: C8H5ClN2O6 MolecularWeight: 260.5881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5ClN2O6/c9-8-5(10(14)15)1-4(3-7(12)13)2-6(8)11(16)17/h1-2H,3H2,(H,12,13)