(2S,3S,4S)-3-nitro-4-(nitromethyl)-2-propyl-3,4-dihydro-2H-chromene

Systemtic Name: (2S,3S,4S)-3-nitro-4-(nitromethyl)-2-propyl-3,4-dihydro-2H-chromene Openeye Name: (2S,3S,4S)-3-nitro-4-(nitromethyl)-2-propyl-chromane CAS Name: (2S,3S,4S)-3-nitro-4-(nitromethyl)-2-propyl-3,4-dihydro-2H-1-benzopyran IUPAC Name: (2S,3S,4S)-3-nitro-4-(nitromethyl)-2-propyl-3,4-dihydro-2H-chromene Traditional Name: (2S,3S,4S)-3-nitro-4-(nitromethyl)-2-propyl-chroman Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(C2=CC=CC=C2O1)C[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC[C@H]1[C@H]([C@@H](C2=CC=CC=C2O1)C[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-2-5-12-13(15(18)19)10(8-14(16)17)9-6-3-4-7-11(9)20-12/h3-4,6-7,10,12-13H,2,5,8H2,1H3/t10-,12+,13+/m1/s1