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(5-nitro-1H-imidazol-2-yl)methyl 2-methylbenzenesulfonate

(5-nitro-1H-imidazol-2-yl)methyl 2-methylbenzenesulfonate

Systemtic Name:(5-nitro-1H-imidazol-2-yl)methyl 2-methylbenzenesulfonate
Openeye Name:(5-nitro-1H-imidazol-2-yl)methyl 2-methylbenzenesulfonate
CAS Name:2-methylbenzenesulfonic acid (5-nitro-1H-imidazol-2-yl)methyl ester
IUPAC Name:(5-nitro-1H-imidazol-2-yl)methyl 2-methylbenzenesulfonate
Traditional Name:2-methylbenzenesulfonic acid (5-nitro-1H-imidazol-2-yl)methyl ester
Formula: C11H11N3O5S
MolecularWeight: 297.28714
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OCC2=NC=C(N2)[N+](=O)[O-]


Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OCC2=NC=C(N2)[N+](=O)[O-]


InChI

InChI=1S/C11H11N3O5S/c1-8-4-2-3-5-9(8)20(17,18)19-7-10-12-6-11(13-10)14(15)16/h2-6H,7H2,1H3,(H,12,13)


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