methyl 1-(4-nitrophenyl)sulfonylcyclohexane-1-carboxylate

Systemtic Name: methyl 1-(4-nitrophenyl)sulfonylcyclohexane-1-carboxylate Openeye Name: methyl 1-(4-nitrophenyl)sulfonylcyclohexanecarboxylate CAS Name: 1-(4-nitrophenyl)sulfonyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-nitrophenyl)sulfonylcyclohexane-1-carboxylate Traditional Name: 1-nosylcyclohexanecarboxylic acid methyl ester Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO6S/c1-21-13(16)14(9-3-2-4-10-14)22(19,20)12-7-5-11(6-8-12)15(17)18/h5-8H,2-4,9-10H2,1H3