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ethoxy-piperazin-1-yl-(2,4,6-trinitrophenyl)sulfanyl-methanethiol

ethoxy-piperazin-1-yl-(2,4,6-trinitrophenyl)sulfanyl-methanethiol

Systemtic Name:ethoxy-piperazin-1-yl-(2,4,6-trinitrophenyl)sulfanyl-methanethiol
Openeye Name:ethoxy-piperazin-1-yl-(2,4,6-trinitrophenyl)sulfanyl-methanethiol
CAS Name:ethoxy-(1-piperazinyl)-[(2,4,6-trinitrophenyl)thio]methanethiol
IUPAC Name:ethoxy-piperazin-1-yl-(2,4,6-trinitrophenyl)sulfanylmethanethiol
Traditional Name:ethoxy-(picrylthio)-piperazino-methanethiol
Formula: C13H17N5O7S2
MolecularWeight: 419.43338
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(N1CCNCC1)(S)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CCOC(N1CCNCC1)(S)SC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C13H17N5O7S2/c1-2-25-13(26,15-5-3-14-4-6-15)27-12-10(17(21)22)7-9(16(19)20)8-11(12)18(23)24/h7-8,14,26H,2-6H2,1H3


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