1-[(2-methylphenyl)sulfanylmethyl]piperidine; 2,4,6-trinitrophenol

Systemtic Name: 1-[(2-methylphenyl)sulfanylmethyl]piperidine; 2,4,6-trinitrophenol Openeye Name: 1-(o-tolylsulfanylmethyl)piperidine; picric acid CAS Name: 1-[[(2-methylphenyl)thio]methyl]piperidine; 2,4,6-trinitrophenol IUPAC Name: 1-[(2-methylphenyl)sulfanylmethyl]piperidine; 2,4,6-trinitrophenol Traditional Name: 1-[(o-tolylthio)methyl]piperidine; picric acid Formula: C19H22N4O7S MolecularWeight: 450.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19NS.C6H3N3O7/c1-12-7-3-4-8-13(12)15-11-14-9-5-2-6-10-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7-8H,2,5-6,9-11H2,1H3;1-2,10H