2-[(E)-prop-1-enyl]sulfanylpyridine; 2,4,6-trinitrophenol

Systemtic Name: 2-[(E)-prop-1-enyl]sulfanylpyridine; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-[(E)-prop-1-enyl]sulfanylpyridine CAS Name: 2-[[(E)-prop-1-enyl]thio]pyridine; 2,4,6-trinitrophenol IUPAC Name: 2-[(E)-prop-1-enyl]sulfanylpyridine; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-[[(E)-prop-1-enyl]thio]pyridine Formula: C14H12N4O7S MolecularWeight: 380.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC=CSC1=CC=CC=N1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C/C=C/SC1=CC=CC=N1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H9NS.C6H3N3O7/c1-2-7-10-8-5-3-4-6-9-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H/b7-2+;