3-[4-(3,4,5-trinitrophenoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-(3,4,5-trinitrophenoxy)phenyl]propanoic acid Openeye Name: 3-[4-(3,4,5-trinitrophenoxy)phenyl]propanoic acid CAS Name: 3-[4-(3,4,5-trinitrophenoxy)phenyl]propanoic acid IUPAC Name: 3-[4-(3,4,5-trinitrophenoxy)phenyl]propanoic acid Traditional Name: 3-[4-(3,4,5-trinitrophenoxy)phenyl]propionic acid Formula: C15H11N3O9 MolecularWeight: 377.26254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)OC2=CC(=C(C(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)OC2=CC(=C(C(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O9/c19-14(20)6-3-9-1-4-10(5-2-9)27-11-7-12(16(21)22)15(18(25)26)13(8-11)17(23)24/h1-2,4-5,7-8H,3,6H2,(H,19,20)