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4-(2,4-dinitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride

4-(2,4-dinitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride

Systemtic Name:4-(2,4-dinitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride
Openeye Name:4-(2,4-dinitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride
CAS Name:4-[(2,4-dinitrophenyl)thio]-1-piperidin-1-iumcarboxylic acid chloride
IUPAC Name:4-(2,4-dinitrophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride
Traditional Name:4-[(2,4-dinitrophenyl)thio]piperidin-1-ium-1-carboxylic acid chloride
Formula: C12H14ClN3O6S
MolecularWeight: 363.77406
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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O.[Cl-]


Isomeric SMILES

C1C[NH+](CCC1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O.[Cl-]


InChI

InChI=1S/C12H13N3O6S.ClH/c16-12(17)13-5-3-9(4-6-13)22-11-2-1-8(14(18)19)7-10(11)15(20)21;/h1-2,7,9H,3-6H2,(H,16,17);1H


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