2-[(2S,3S)-1,3-dinitropentan-2-yl]furan

Systemtic Name: 2-[(2S,3S)-1,3-dinitropentan-2-yl]furan Openeye Name: 2-[(1S,2S)-2-nitro-1-(nitromethyl)butyl]furan CAS Name: 2-[(2S,3S)-1,3-dinitropentan-2-yl]furan IUPAC Name: 2-[(2S,3S)-1,3-dinitropentan-2-yl]furan Traditional Name: 2-[(1S,2S)-2-nitro-1-(nitromethyl)butyl]furan Formula: C9H12N2O5 MolecularWeight: 228.20198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C[N+](=O)[O-])C1=CC=CO1)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]([C@H](C[N+](=O)[O-])C1=CC=CO1)[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O5/c1-2-8(11(14)15)7(6-10(12)13)9-4-3-5-16-9/h3-5,7-8H,2,6H2,1H3/t7-,8-/m0/s1