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methyl (3S)-3-(nitromethyl)hexanoate

methyl (3S)-3-(nitromethyl)hexanoate

Systemtic Name:methyl (3S)-3-(nitromethyl)hexanoate
Openeye Name:methyl (3S)-3-(nitromethyl)hexanoate
CAS Name:(3S)-3-(nitromethyl)hexanoic acid methyl ester
IUPAC Name:methyl (3S)-3-(nitromethyl)hexanoate
Traditional Name:(3S)-3-(nitromethyl)hexanoic acid methyl ester
Formula: C8H12NO4
MolecularWeight: 186.18518
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C[N+](=O)[O-])[CH][CH][CH2]


Isomeric SMILES

COC(=O)C[C@@H](C[N+](=O)[O-])[CH][CH][CH2]


InChI

InChI=1S/C8H12NO4/c1-3-4-7(6-9(11)12)5-8(10)13-2/h3-4,7H,1,5-6H2,2H3/t7-/m0/s1


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