2-[(2,3,4-trinitrophenyl)amino]dodecanoic acid

Systemtic Name: 2-[(2,3,4-trinitrophenyl)amino]dodecanoic acid Openeye Name: 2-(2,3,4-trinitroanilino)dodecanoic acid CAS Name: 2-(2,3,4-trinitroanilino)dodecanoic acid IUPAC Name: 2-(2,3,4-trinitroanilino)dodecanoic acid Traditional Name: 2-(2,3,4-trinitroanilino)lauric acid Formula: C18H26N4O8 MolecularWeight: 426.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)O)NC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCC(C(=O)O)NC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O8/c1-2-3-4-5-6-7-8-9-10-14(18(23)24)19-13-11-12-15(20(25)26)17(22(29)30)16(13)21(27)28/h11-12,14,19H,2-10H2,1H3,(H,23,24)