2-(1H-benzimidazol-2-ylsulfanyl)-1-phenyl-ethanone; 2,4,6-trinitrophenol

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-phenyl-ethanone; 2,4,6-trinitrophenol Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-phenyl-ethanone; picric acid CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-phenylethanone; 2,4,6-trinitrophenol IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-phenylethanone; 2,4,6-trinitrophenol Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-phenyl-ethanone; picric acid Formula: C21H15N5O8S MolecularWeight: 497.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2OS.C6H3N3O7/c18-14(11-6-2-1-3-7-11)10-19-15-16-12-8-4-5-9-13(12)17-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-9H,10H2,(H,16,17);1-2,10H