[4,4-bis(chloranyl)-2-(3-methyl-5-nitro-phenyl)-2-oxidanyl-pentyl] N,N-diethylsulfamate

Systemtic Name: [4,4-bis(chloranyl)-2-(3-methyl-5-nitro-phenyl)-2-oxidanyl-pentyl] N,N-diethylsulfamate Openeye Name: [4,4-dichloro-2-hydroxy-2-(3-methyl-5-nitro-phenyl)pentyl] N,N-diethylsulfamate CAS Name: N,N-diethylsulfamic acid [4,4-dichloro-2-hydroxy-2-(3-methyl-5-nitrophenyl)pentyl] ester IUPAC Name: [4,4-dichloro-2-hydroxy-2-(3-methyl-5-nitrophenyl)pentyl] N,N-diethylsulfamate Traditional Name: N,N-diethylsulfamic acid [4,4-dichloro-2-hydroxy-2-(3-methyl-5-nitro-phenyl)pentyl] ester Formula: C16H24Cl2N2O6S MolecularWeight: 443.34256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)OCC(CC(C)(Cl)Cl)(C1=CC(=CC(=C1)C)[N+](=O)[O-])O

Isomeric SMILES

CCN(CC)S(=O)(=O)OCC(CC(C)(Cl)Cl)(C1=CC(=CC(=C1)C)[N+](=O)[O-])O

InChI

InChI=1S/C16H24Cl2N2O6S/c1-5-19(6-2)27(24,25)26-11-16(21,10-15(4,17)18)13-7-12(3)8-14(9-13)20(22)23/h7-9,21H,5-6,10-11H2,1-4H3