3-[3-(2,4-dinitrophenyl)sulfanylpropyl]pyridine; 2,4,6-trinitrophenol

Systemtic Name: 3-[3-(2,4-dinitrophenyl)sulfanylpropyl]pyridine; 2,4,6-trinitrophenol Openeye Name: 3-[3-(2,4-dinitrophenyl)sulfanylpropyl]pyridine; picric acid CAS Name: 3-[3-[(2,4-dinitrophenyl)thio]propyl]pyridine; 2,4,6-trinitrophenol IUPAC Name: 3-[3-(2,4-dinitrophenyl)sulfanylpropyl]pyridine; 2,4,6-trinitrophenol Traditional Name: 3-[3-[(2,4-dinitrophenyl)thio]propyl]pyridine; picric acid Formula: C20H16N6O11S MolecularWeight: 548.43964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CCCSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4S.C6H3N3O7/c18-16(19)12-5-6-14(13(9-12)17(20)21)22-8-2-4-11-3-1-7-15-10-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3,5-7,9-10H,2,4,8H2;1-2,10H