1-(1-methylimidazol-2-yl)sulfanylpropan-2-one; 2,4,6-trinitrophenol

Systemtic Name: 1-(1-methylimidazol-2-yl)sulfanylpropan-2-one; 2,4,6-trinitrophenol Openeye Name: 1-(1-methylimidazol-2-yl)sulfanylpropan-2-one; picric acid CAS Name: 1-[(1-methyl-2-imidazolyl)thio]-2-propanone; 2,4,6-trinitrophenol IUPAC Name: 1-(1-methylimidazol-2-yl)sulfanylpropan-2-one; 2,4,6-trinitrophenol Traditional Name: 1-[(1-methylimidazol-2-yl)thio]acetone; picric acid Formula: C13H13N5O8S MolecularWeight: 399.33602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC=CN1C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=NC=CN1C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H10N2OS.C6H3N3O7/c1-6(10)5-11-7-8-3-4-9(7)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4H,5H2,1-2H3;1-2,10H