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9-nitro-6-(nitromethyl)-7-sulfanylidene-nonanoic acid

9-nitro-6-(nitromethyl)-7-sulfanylidene-nonanoic acid

Systemtic Name:9-nitro-6-(nitromethyl)-7-sulfanylidene-nonanoic acid
Openeye Name:9-nitro-6-(nitromethyl)-7-thioxo-nonanoic acid
CAS Name:9-nitro-6-(nitromethyl)-7-sulfanylidenenonanoic acid
IUPAC Name:9-nitro-6-(nitromethyl)-7-sulfanylidenenonanoic acid
Traditional Name:9-nitro-6-(nitromethyl)-7-thioxo-pelargonic acid
Formula: C10H16N2O6S
MolecularWeight: 292.30884
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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC(C[N+](=O)[O-])C(=S)CC[N+](=O)[O-]


Isomeric SMILES

C(CCC(=O)O)CC(C[N+](=O)[O-])C(=S)CC[N+](=O)[O-]


InChI

InChI=1S/C10H16N2O6S/c13-10(14)4-2-1-3-8(7-12(17)18)9(19)5-6-11(15)16/h8H,1-7H2,(H,13,14)


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