12-[(2,4,6-trinitrophenyl)amino]dodecanoic acid

Systemtic Name: 12-[(2,4,6-trinitrophenyl)amino]dodecanoic acid Openeye Name: 12-(2,4,6-trinitroanilino)dodecanoic acid CAS Name: 12-(2,4,6-trinitroanilino)dodecanoic acid IUPAC Name: 12-(2,4,6-trinitroanilino)dodecanoic acid Traditional Name: 12-(2,4,6-trinitroanilino)lauric acid Formula: C18H26N4O8 MolecularWeight: 426.42104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O8/c23-17(24)10-8-6-4-2-1-3-5-7-9-11-19-18-15(21(27)28)12-14(20(25)26)13-16(18)22(29)30/h12-13,19H,1-11H2,(H,23,24)