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1,1-diethyl-5-nitro-indol-1-ium-2-thiolate

1,1-diethyl-5-nitro-indol-1-ium-2-thiolate

Systemtic Name:1,1-diethyl-5-nitro-indol-1-ium-2-thiolate
Openeye Name:1,1-diethyl-5-nitro-indol-1-ium-2-thiolate
CAS Name:1,1-diethyl-5-nitro-2-indol-1-iumthiolate
IUPAC Name:1,1-diethyl-5-nitroindol-1-ium-2-thiolate
Traditional Name:1,1-diethyl-5-nitro-indol-1-ium-2-thiolate
Formula: C12H14N2O2S
MolecularWeight: 250.31676
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1[S-])CC


Isomeric SMILES

CC[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1[S-])CC


InChI

InChI=1S/C12H14N2O2S/c1-3-14(4-2)11-6-5-10(13(15)16)7-9(11)8-12(14)17/h5-8H,3-4H2,1-2H3


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