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methyl-[2-(2,4,6-trinitrophenyl)sulfanylethyl]azanium

methyl-[2-(2,4,6-trinitrophenyl)sulfanylethyl]azanium

Systemtic Name:methyl-[2-(2,4,6-trinitrophenyl)sulfanylethyl]azanium
Openeye Name:methyl-[2-(2,4,6-trinitrophenyl)sulfanylethyl]ammonium
CAS Name:methyl-[2-[(2,4,6-trinitrophenyl)thio]ethyl]ammonium
IUPAC Name:methyl-[2-(2,4,6-trinitrophenyl)sulfanylethyl]azanium
Traditional Name:methyl-[2-(picrylthio)ethyl]ammonium
Formula: C9H11N4O6S+
MolecularWeight: 303.27184
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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCSC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C[NH2+]CCSC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C9H10N4O6S/c1-10-2-3-20-9-7(12(16)17)4-6(11(14)15)5-8(9)13(18)19/h4-5,10H,2-3H2,1H3/p+1


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