diethyl-[2-(2-methyl-5-nitro-phenyl)sulfonyloxyethyl]azanium

Systemtic Name: diethyl-[2-(2-methyl-5-nitro-phenyl)sulfonyloxyethyl]azanium Openeye Name: diethyl-[2-(2-methyl-5-nitro-phenyl)sulfonyloxyethyl]ammonium CAS Name: diethyl-[2-(2-methyl-5-nitrophenyl)sulfonyloxyethyl]ammonium IUPAC Name: diethyl-[2-(2-methyl-5-nitrophenyl)sulfonyloxyethyl]azanium Traditional Name: diethyl-[2-(2-methyl-5-nitro-phenyl)sulfonyloxyethyl]ammonium Formula: C13H21N2O5S+ MolecularWeight: 317.38124

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+](CC)CCOS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N2O5S/c1-4-14(5-2)8-9-20-21(18,19)13-10-12(15(16)17)7-6-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3/p+1