2-(2,4,6-trinitrophenyl)ethanoic acid

Systemtic Name: 2-(2,4,6-trinitrophenyl)ethanoic acid Openeye Name: 2-(2,4,6-trinitrophenyl)acetic acid CAS Name: 2-(2,4,6-trinitrophenyl)acetic acid IUPAC Name: 2-(2,4,6-trinitrophenyl)acetic acid Traditional Name: 2-picrylacetic acid Formula: C8H5N3O8 MolecularWeight: 271.1406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5N3O8/c12-8(13)3-5-6(10(16)17)1-4(9(14)15)2-7(5)11(18)19/h1-2H,3H2,(H,12,13)