[2-chloranyl-3-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-(4-methyloctanoyl)-oxidanyl-azanium

Systemtic Name: [2-chloranyl-3-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-(4-methyloctanoyl)-oxidanyl-azanium Openeye Name: [2-chloro-3-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-hydroxy-(4-methyloctanoyl)ammonium CAS Name: [2-chloro-3-(1-hydroxyethyl)-4-nitrophenoxy]-cyclohexyl-hydroxy-(4-methyl-1-oxooctyl)ammonium IUPAC Name: [2-chloro-3-(1-hydroxyethyl)-4-nitrophenoxy]-cyclohexyl-hydroxy-(4-methyloctanoyl)azanium Traditional Name: [2-chloro-3-(1-hydroxyethyl)-4-nitro-phenoxy]-cyclohexyl-hydroxy-(4-methyloctanoyl)ammonium Formula: C23H36ClN2O6+ MolecularWeight: 471.99474

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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(C)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H36ClN2O6/c1-4-5-9-16(2)12-15-21(28)26(31,18-10-7-6-8-11-18)32-20-14-13-19(25(29)30)22(17(3)27)23(20)24/h13-14,16-18,27,31H,4-12,15H2,1-3H3/q+1