6-[(3,4,5-trinitro-2-oxidanyl-phenyl)amino]hexanoic acid

Systemtic Name: 6-[(3,4,5-trinitro-2-oxidanyl-phenyl)amino]hexanoic acid Openeye Name: 6-(2-hydroxy-3,4,5-trinitro-anilino)hexanoic acid CAS Name: 6-(2-hydroxy-3,4,5-trinitroanilino)hexanoic acid IUPAC Name: 6-(2-hydroxy-3,4,5-trinitroanilino)hexanoic acid Traditional Name: 6-(2-hydroxy-3,4,5-trinitro-anilino)hexanoic acid Formula: C12H14N4O9 MolecularWeight: 358.26096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O9/c17-9(18)4-2-1-3-5-13-7-6-8(14(20)21)10(15(22)23)11(12(7)19)16(24)25/h6,13,19H,1-5H2,(H,17,18)