(2-ethynylcyclohexyl) 3-nitrobenzenesulfonate

Systemtic Name: (2-ethynylcyclohexyl) 3-nitrobenzenesulfonate Openeye Name: (2-ethynylcyclohexyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (2-ethynylcyclohexyl) ester IUPAC Name: (2-ethynylcyclohexyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (2-ethynylcyclohexyl) ester Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCCCC1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C#CC1CCCCC1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15NO5S/c1-2-11-6-3-4-9-14(11)20-21(18,19)13-8-5-7-12(10-13)15(16)17/h1,5,7-8,10-11,14H,3-4,6,9H2