4-(2,1,3-benzoxadiazol-4-ylsulfonyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-ylsulfonyl)cyclohexane-1-carboxylic acid Openeye Name: 4-(2,1,3-benzoxadiazol-4-ylsulfonyl)cyclohexanecarboxylic acid CAS Name: 4-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-cyclohexanecarboxylic acid IUPAC Name: 4-(2,1,3-benzoxadiazol-4-ylsulfonyl)cyclohexane-1-carboxylic acid Traditional Name: 4-benzofurazan-4-ylsulfonylcyclohexanecarboxylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)S(=O)(=O)C2=CC=CC3=NON=C32

Isomeric SMILES

C1CC(CCC1C(=O)O)S(=O)(=O)C2=CC=CC3=NON=C32

InChI

InChI=1S/C13H14N2O5S/c16-13(17)8-4-6-9(7-5-8)21(18,19)11-3-1-2-10-12(11)15-20-14-10/h1-3,8-9H,4-7H2,(H,16,17)