methylbenzene; 2,4,6-trinitrophenolate

Systemtic Name: methylbenzene; 2,4,6-trinitrophenolate Openeye Name: toluene; 2,4,6-trinitrophenolate CAS Name: toluene; 2,4,6-trinitrophenolate IUPAC Name: toluene; 2,4,6-trinitrophenolate Traditional Name: toluene picrate Formula: C13H10N3O7- MolecularWeight: 320.2344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H8.C6H3N3O7/c1-7-5-3-2-4-6-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H,1H3;1-2,10H/p-1