(2-chloranylcyclohexyl) 4-butan-2-ylbenzenesulfonate

Systemtic Name: (2-chloranylcyclohexyl) 4-butan-2-ylbenzenesulfonate Openeye Name: (2-chlorocyclohexyl) 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid (2-chlorocyclohexyl) ester IUPAC Name: (2-chlorocyclohexyl) 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid (2-chlorocyclohexyl) ester Formula: C16H23ClO3S MolecularWeight: 330.87002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2Cl

InChI

InChI=1S/C16H23ClO3S/c1-3-12(2)13-8-10-14(11-9-13)21(18,19)20-16-7-5-4-6-15(16)17/h8-12,15-16H,3-7H2,1-2H3