2-methylbenzo[g][1,3]benzothiazole; 2,4,6-trinitrophenol

Systemtic Name: 2-methylbenzo[g][1,3]benzothiazole; 2,4,6-trinitrophenol Openeye Name: 2-methylbenzo[g][1,3]benzothiazole; picric acid CAS Name: 2-methylbenzo[g][1,3]benzothiazole; 2,4,6-trinitrophenol IUPAC Name: 2-methylbenzo[g][1,3]benzothiazole; 2,4,6-trinitrophenol Traditional Name: 2-methylbenzo[g][1,3]benzothiazole; picric acid Formula: C18H12N4O7S MolecularWeight: 428.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C3=CC=CC=C3C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C3=CC=CC=C3C=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9NS.C6H3N3O7/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H