dodecan-1-amine; 2,4,6-trinitrophenolate

Systemtic Name: dodecan-1-amine; 2,4,6-trinitrophenolate Openeye Name: dodecan-1-amine; 2,4,6-trinitrophenolate CAS Name: 1-dodecanamine; 2,4,6-trinitrophenolate IUPAC Name: dodecan-1-amine; 2,4,6-trinitrophenolate Traditional Name: laurylamine picrate Formula: C18H29N4O7- MolecularWeight: 413.44546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H27N.C6H3N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-13H2,1H3;1-2,10H/p-1