1,3-benzothiazole; 2,4,6-trinitrophenol

Systemtic Name: 1,3-benzothiazole; 2,4,6-trinitrophenol Openeye Name: 1,3-benzothiazole; picric acid CAS Name: 1,3-benzothiazole; 2,4,6-trinitrophenol IUPAC Name: 1,3-benzothiazole; 2,4,6-trinitrophenol Traditional Name: 1,3-benzothiazole; picric acid Formula: C13H8N4O7S MolecularWeight: 364.29022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CS2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CS2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H5NS.C6H3N3O7/c1-2-4-7-6(3-1)8-5-9-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5H;1-2,10H