2,6-bis[(2,3,4-trinitrophenyl)amino]hexanoic acid

Systemtic Name: 2,6-bis[(2,3,4-trinitrophenyl)amino]hexanoic acid Openeye Name: 2,6-bis(2,3,4-trinitroanilino)hexanoic acid CAS Name: 2,6-bis(2,3,4-trinitroanilino)hexanoic acid IUPAC Name: 2,6-bis(2,3,4-trinitroanilino)hexanoic acid Traditional Name: 2,6-bis(2,3,4-trinitroanilino)hexanoic acid Formula: C18H16N8O14 MolecularWeight: 568.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1NCCCCC(C(=O)O)NC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1NCCCCC(C(=O)O)NC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N8O14/c27-18(28)11(20-10-5-7-13(22(31)32)17(26(39)40)15(10)24(35)36)3-1-2-8-19-9-4-6-12(21(29)30)16(25(37)38)14(9)23(33)34/h4-7,11,19-20H,1-3,8H2,(H,27,28)