5-hexylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-hexylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-hexylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-hexylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-hexylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-hexylsulfonyl-1,3,4-thiadiazole-2-carboxylic acid Formula: C9H14N2O4S2 MolecularWeight: 278.34846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=NN=C(S1)C(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)C1=NN=C(S1)C(=O)O

InChI

InChI=1S/C9H14N2O4S2/c1-2-3-4-5-6-17(14,15)9-11-10-7(16-9)8(12)13/h2-6H2,1H3,(H,12,13)