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2-(2,4,6-trinitrophenyl)sulfanylethanoic acid

2-(2,4,6-trinitrophenyl)sulfanylethanoic acid

Systemtic Name:2-(2,4,6-trinitrophenyl)sulfanylethanoic acid
Openeye Name:2-(2,4,6-trinitrophenyl)sulfanylacetic acid
CAS Name:2-[(2,4,6-trinitrophenyl)thio]acetic acid
IUPAC Name:2-(2,4,6-trinitrophenyl)sulfanylacetic acid
Traditional Name:2-(picrylthio)acetic acid
Formula: C8H5N3O8S
MolecularWeight: 303.2056
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])SCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])SCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C8H5N3O8S/c12-7(13)3-20-8-5(10(16)17)1-4(9(14)15)2-6(8)11(18)19/h1-2H,3H2,(H,12,13)


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