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

Systemtic Name: 4-[(2-methylphenyl)sulfanylmethyl]morpholine; 2,4,6-trinitrophenol Openeye Name: 4-(o-tolylsulfanylmethyl)morpholine; picric acid CAS Name: 4-[[(2-methylphenyl)thio]methyl]morpholine; 2,4,6-trinitrophenol IUPAC Name: 4-[(2-methylphenyl)sulfanylmethyl]morpholine; 2,4,6-trinitrophenol Traditional Name: 4-[(o-tolylthio)methyl]morpholine; picric acid Formula: C18H20N4O8S MolecularWeight: 452.4384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCN2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCN2CCOCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17NOS.C6H3N3O7/c1-11-4-2-3-5-12(11)15-10-13-6-8-14-9-7-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-5H,6-10H2,1H3;1-2,10H