sodium 6-(2-chloroethylsulfonyl)-3-methyl-pyridazine-4-sulfonate

Systemtic Name: sodium 6-(2-chloroethylsulfonyl)-3-methyl-pyridazine-4-sulfonate Openeye Name: sodium 6-(2-chloroethylsulfonyl)-3-methyl-pyridazine-4-sulfonate CAS Name: sodium 6-(2-chloroethylsulfonyl)-3-methyl-4-pyridazinesulfonate IUPAC Name: sodium 6-(2-chloroethylsulfonyl)-3-methylpyridazine-4-sulfonate Traditional Name: sodium 6-(2-chloroethylsulfonyl)-3-methyl-pyridazine-4-sulfonate Formula: C7H8ClN2NaO5S2 MolecularWeight: 322.72159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C=C1S(=O)(=O)[O-])S(=O)(=O)CCCl.[Na+]

Isomeric SMILES

CC1=NN=C(C=C1S(=O)(=O)[O-])S(=O)(=O)CCCl.[Na+]

InChI

InChI=1S/C7H9ClN2O5S2.Na/c1-5-6(17(13,14)15)4-7(10-9-5)16(11,12)3-2-8;/h4H,2-3H2,1H3,(H,13,14,15);/q;+1/p-1