2,6-bis(azanyl)-2-(2,3,4-trinitrophenyl)hexanoic acid

Systemtic Name: 2,6-bis(azanyl)-2-(2,3,4-trinitrophenyl)hexanoic acid Openeye Name: 2,6-diamino-2-(2,3,4-trinitrophenyl)hexanoic acid CAS Name: 2,6-diamino-2-(2,3,4-trinitrophenyl)hexanoic acid IUPAC Name: 2,6-diamino-2-(2,3,4-trinitrophenyl)hexanoic acid Traditional Name: 2,6-diamino-2-(2,3,4-trinitrophenyl)hexanoic acid Formula: C12H15N5O8 MolecularWeight: 357.2762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(CCCCN)(C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1C(CCCCN)(C(=O)O)N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O8/c13-6-2-1-5-12(14,11(18)19)7-3-4-8(15(20)21)10(17(24)25)9(7)16(22)23/h3-4H,1-2,5-6,13-14H2,(H,18,19)