(2-chloranyl-3-methanoyl-4-nitro-phenoxy)-cyclohexyl-(4-methyloctanoyl)-oxidanyl-azanium

Systemtic Name: (2-chloranyl-3-methanoyl-4-nitro-phenoxy)-cyclohexyl-(4-methyloctanoyl)-oxidanyl-azanium Openeye Name: (2-chloro-3-formyl-4-nitro-phenoxy)-cyclohexyl-hydroxy-(4-methyloctanoyl)ammonium CAS Name: (2-chloro-3-formyl-4-nitrophenoxy)-cyclohexyl-hydroxy-(4-methyl-1-oxooctyl)ammonium IUPAC Name: (2-chloro-3-formyl-4-nitrophenoxy)-cyclohexyl-hydroxy-(4-methyloctanoyl)azanium Traditional Name: (2-chloro-3-formyl-4-nitro-phenoxy)-cyclohexyl-hydroxy-(4-methyloctanoyl)ammonium Formula: C22H32ClN2O6+ MolecularWeight: 455.95228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCC(=O)[N+](C1CCCCC1)(O)OC2=C(C(=C(C=C2)[N+](=O)[O-])C=O)Cl

Isomeric SMILES

CCCCC(C)CCC(=O)[N+](C1CCCCC1)(O)OC2=C(C(=C(C=C2)[N+](=O)[O-])C=O)Cl

InChI

InChI=1S/C22H32ClN2O6/c1-3-4-8-16(2)11-14-21(27)25(30,17-9-6-5-7-10-17)31-20-13-12-19(24(28)29)18(15-26)22(20)23/h12-13,15-17,30H,3-11,14H2,1-2H3/q+1