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cyclohexyl-(2-methanoyl-3-nitro-phenoxy)-octanoyl-oxidanyl-azanium

cyclohexyl-(2-methanoyl-3-nitro-phenoxy)-octanoyl-oxidanyl-azanium

Systemtic Name:cyclohexyl-(2-methanoyl-3-nitro-phenoxy)-octanoyl-oxidanyl-azanium
Openeye Name:cyclohexyl-(2-formyl-3-nitro-phenoxy)-hydroxy-octanoyl-ammonium
CAS Name:cyclohexyl-(2-formyl-3-nitrophenoxy)-hydroxy-(1-oxooctyl)ammonium
IUPAC Name:cyclohexyl-(2-formyl-3-nitrophenoxy)-hydroxy-octanoylazanium
Traditional Name:caprylyl-cyclohexyl-(2-formyl-3-nitro-phenoxy)-hydroxy-ammonium
Formula: C21H31N2O6+
MolecularWeight: 407.48064
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[N+](C1CCCCC1)(O)OC2=CC=CC(=C2C=O)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCC(=O)[N+](C1CCCCC1)(O)OC2=CC=CC(=C2C=O)[N+](=O)[O-]


InChI

InChI=1S/C21H31N2O6/c1-2-3-4-5-9-15-21(25)23(28,17-11-7-6-8-12-17)29-20-14-10-13-19(22(26)27)18(20)16-24/h10,13-14,16-17,28H,2-9,11-12,15H2,1H3/q+1


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