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dicyclohexyl-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium chloride

dicyclohexyl-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium chloride

Systemtic Name:dicyclohexyl-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]azanium chloride
Openeye Name:dicyclohexyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]ammonium chloride
CAS Name:dicyclohexyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]ammonium chloride
IUPAC Name:dicyclohexyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]azanium chloride
Traditional Name:dicyclohexyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]ammonium chloride
Formula: C21H33ClN2O4
MolecularWeight: 412.95072
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3CCCCC3.[Cl-]


Isomeric SMILES

C1CCC(CC1)[NH+](CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3CCCCC3.[Cl-]


InChI

InChI=1S/C21H32N2O4.ClH/c24-20(16-27-21-13-11-19(12-14-21)23(25)26)15-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h11-14,17-18,20,24H,1-10,15-16H2;1H


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