(4-chloranyl-2-cyclohexyl-phenyl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (4-chloranyl-2-cyclohexyl-phenyl) 4-methylsulfonylbenzenesulfonate Openeye Name: (4-chloro-2-cyclohexyl-phenyl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (4-chloro-2-cyclohexylphenyl) ester IUPAC Name: (4-chloro-2-cyclohexylphenyl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (4-chloro-2-cyclohexyl-phenyl) ester Formula: C19H21ClO5S2 MolecularWeight: 428.95004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3CCCCC3

InChI

InChI=1S/C19H21ClO5S2/c1-26(21,22)16-8-10-17(11-9-16)27(23,24)25-19-12-7-15(20)13-18(19)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3