3-(4-bromophenyl)sulfonyloxy-5-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: 3-(4-bromophenyl)sulfonyloxy-5-oxidanyl-cyclohexane-1-carboxylate Openeye Name: 3-(4-bromophenyl)sulfonyloxy-5-hydroxy-cyclohexanecarboxylate CAS Name: 3-(4-bromophenyl)sulfonyloxy-5-hydroxy-1-cyclohexanecarboxylate IUPAC Name: 3-(4-bromophenyl)sulfonyloxy-5-hydroxycyclohexane-1-carboxylate Traditional Name: 3-brosyloxy-5-hydroxy-cyclohexanecarboxylate Formula: C13H14BrO6S- MolecularWeight: 378.21566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(CC1O)OS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1C(CC(CC1O)OS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H15BrO6S/c14-9-1-3-12(4-2-9)21(18,19)20-11-6-8(13(16)17)5-10(15)7-11/h1-4,8,10-11,15H,5-7H2,(H,16,17)/p-1