3,5-dinitro-4-phenoxy-benzoic acid

Systemtic Name: 3,5-dinitro-4-phenoxy-benzoic acid Openeye Name: 3,5-dinitro-4-phenoxy-benzoic acid CAS Name: 3,5-dinitro-4-phenoxybenzoic acid IUPAC Name: 3,5-dinitro-4-phenoxybenzoic acid Traditional Name: 3,5-dinitro-4-phenoxy-benzoic acid Formula: C13H8N2O7 MolecularWeight: 304.21182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O7/c16-13(17)8-6-10(14(18)19)12(11(7-8)15(20)21)22-9-4-2-1-3-5-9/h1-7H,(H,16,17)