6-methylsulfanylphenanthridine; 2,4,6-trinitrophenol

Systemtic Name: 6-methylsulfanylphenanthridine; 2,4,6-trinitrophenol Openeye Name: 6-methylsulfanylphenanthridine; picric acid CAS Name: 6-(methylthio)phenanthridine; 2,4,6-trinitrophenol IUPAC Name: 6-methylsulfanylphenanthridine; 2,4,6-trinitrophenol Traditional Name: 6-(methylthio)phenanthridine; picric acid Formula: C20H14N4O7S MolecularWeight: 454.41276

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C3=CC=CC=C31.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=CC=CC=C2C3=CC=CC=C31.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11NS.C6H3N3O7/c1-16-14-12-8-3-2-6-10(12)11-7-4-5-9-13(11)15-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-9H,1H3;1-2,10H