[4-(2-chlorophenyl)-1-oxidanyl-cyclohexyl] propane-1-sulfonate

Systemtic Name: [4-(2-chlorophenyl)-1-oxidanyl-cyclohexyl] propane-1-sulfonate Openeye Name: [4-(2-chlorophenyl)-1-hydroxy-cyclohexyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-(2-chlorophenyl)-1-hydroxycyclohexyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-(2-chlorophenyl)-1-hydroxy-cyclohexyl] ester Formula: C15H21ClO4S MolecularWeight: 332.84284

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1(CCC(CC1)C2=CC=CC=C2Cl)O

Isomeric SMILES

CCCS(=O)(=O)OC1(CCC(CC1)C2=CC=CC=C2Cl)O

InChI

InChI=1S/C15H21ClO4S/c1-2-11-21(18,19)20-15(17)9-7-12(8-10-15)13-5-3-4-6-14(13)16/h3-6,12,17H,2,7-11H2,1H3