sodium 6-(2-bromoethylsulfonyloxy)-3-methyl-pyrazine-2-sulfonate

Systemtic Name: sodium 6-(2-bromoethylsulfonyloxy)-3-methyl-pyrazine-2-sulfonate Openeye Name: sodium 6-(2-bromoethylsulfonyloxy)-3-methyl-pyrazine-2-sulfonate CAS Name: sodium 6-(2-bromoethylsulfonyloxy)-3-methyl-2-pyrazinesulfonate IUPAC Name: sodium 6-(2-bromoethylsulfonyloxy)-3-methylpyrazine-2-sulfonate Traditional Name: sodium 6-(2-bromoethylsulfonyloxy)-3-methyl-pyrazine-2-sulfonate Formula: C7H8BrN2NaO6S2 MolecularWeight: 383.17199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1S(=O)(=O)[O-])OS(=O)(=O)CCBr.[Na+]

Isomeric SMILES

CC1=NC=C(N=C1S(=O)(=O)[O-])OS(=O)(=O)CCBr.[Na+]

InChI

InChI=1S/C7H9BrN2O6S2.Na/c1-5-7(18(13,14)15)10-6(4-9-5)16-17(11,12)3-2-8;/h4H,2-3H2,1H3,(H,13,14,15);/q;+1/p-1