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methyl 5-ethynyl-2-(nitromethyl)-3,5-bis(oxidanyl)cyclohexane-1-carboxylate

methyl 5-ethynyl-2-(nitromethyl)-3,5-bis(oxidanyl)cyclohexane-1-carboxylate

Systemtic Name:methyl 5-ethynyl-2-(nitromethyl)-3,5-bis(oxidanyl)cyclohexane-1-carboxylate
Openeye Name:methyl 5-ethynyl-3,5-dihydroxy-2-(nitromethyl)cyclohexanecarboxylate
CAS Name:5-ethynyl-3,5-dihydroxy-2-(nitromethyl)-1-cyclohexanecarboxylic acid methyl ester
IUPAC Name:methyl 5-ethynyl-3,5-dihydroxy-2-(nitromethyl)cyclohexane-1-carboxylate
Traditional Name:5-ethynyl-3,5-dihydroxy-2-(nitromethyl)cyclohexanecarboxylic acid methyl ester
Formula: C11H15NO6
MolecularWeight: 257.2399
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CC(C1C[N+](=O)[O-])O)(C#C)O


Isomeric SMILES

COC(=O)C1CC(CC(C1C[N+](=O)[O-])O)(C#C)O


InChI

InChI=1S/C11H15NO6/c1-3-11(15)4-7(10(14)18-2)8(6-12(16)17)9(13)5-11/h1,7-9,13,15H,4-6H2,2H3


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