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(6-oxidanylidene-1,2-diazepin-3-yl)methanesulfonate

(6-oxidanylidene-1,2-diazepin-3-yl)methanesulfonate

Systemtic Name:(6-oxidanylidene-1,2-diazepin-3-yl)methanesulfonate
Openeye Name:(6-oxodiazepin-3-yl)methanesulfonate
CAS Name:(6-oxo-3-diazepinyl)methanesulfonate
IUPAC Name:(6-oxodiazepin-3-yl)methanesulfonate
Traditional Name:(6-ketodiazepin-3-yl)methanesulfonate
Formula: C6H5N2O4S-
MolecularWeight: 201.1799
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NN=CC1=O)CS(=O)(=O)[O-]


Isomeric SMILES

C1=CC(=NN=CC1=O)CS(=O)(=O)[O-]


InChI

InChI=1S/C6H6N2O4S/c9-6-2-1-5(8-7-3-6)4-13(10,11)12/h1-3H,4H2,(H,10,11,12)/p-1


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