N-tert-butyl-5-(iodanylmethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2,4,6-trinitrophenolate

Systemtic Name: N-tert-butyl-5-(iodanylmethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2,4,6-trinitrophenolate Openeye Name: N-tert-butyl-5-(iodomethyl)-4,5-dihydrothiazol-3-ium-2-amine; 2,4,6-trinitrophenolate CAS Name: N-tert-butyl-5-(iodomethyl)-4,5-dihydrothiazol-3-ium-2-amine; 2,4,6-trinitrophenolate IUPAC Name: N-tert-butyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2,4,6-trinitrophenolate Traditional Name: tert-butyl-[5-(iodomethyl)-2-thiazolin-3-ium-2-yl]amine picrate Formula: C14H18IN5O7S MolecularWeight: 527.29149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=[NH+]CC(S1)CI.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=[NH+]CC(S1)CI.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H15IN2S.C6H3N3O7/c1-8(2,3)11-7-10-5-6(4-9)12-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6H,4-5H2,1-3H3,(H,10,11);1-2,10H