3-(2-nitrophenyl)sulfonylcyclohexane-1-carboxylic acid

Systemtic Name: 3-(2-nitrophenyl)sulfonylcyclohexane-1-carboxylic acid Openeye Name: 3-(2-nitrophenyl)sulfonylcyclohexanecarboxylic acid CAS Name: 3-(2-nitrophenyl)sulfonyl-1-cyclohexanecarboxylic acid IUPAC Name: 3-(2-nitrophenyl)sulfonylcyclohexane-1-carboxylic acid Traditional Name: 3-(2-nitrophenyl)sulfonylcyclohexanecarboxylic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CC(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H15NO6S/c15-13(16)9-4-3-5-10(8-9)21(19,20)12-7-2-1-6-11(12)14(17)18/h1-2,6-7,9-10H,3-5,8H2,(H,15,16)