(4-chloranyl-2-cyclohexyl-phenyl) 3-methylsulfonylbenzenesulfonate

Systemtic Name: (4-chloranyl-2-cyclohexyl-phenyl) 3-methylsulfonylbenzenesulfonate Openeye Name: (4-chloro-2-cyclohexyl-phenyl) 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid (4-chloro-2-cyclohexylphenyl) ester IUPAC Name: (4-chloro-2-cyclohexylphenyl) 3-methylsulfonylbenzenesulfonate Traditional Name: 3-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(=CC=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClO5S2/c1-26(21,22)16-8-5-9-17(13-16)27(23,24)25-19-11-10-15(20)12-18(19)14-6-3-2-4-7-14/h5,8-14H,2-4,6-7H2,1H3