(1S,2S)-2-[(R)-(4-iodophenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(R)-(4-iodophenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(R)-hydroxy-(4-iodophenyl)methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(R)-hydroxy-(4-iodophenyl)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(R)-hydroxy-(4-iodophenyl)methyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(R)-hydroxy-(4-iodophenyl)methyl]cyclohexanecarboxylate Formula: C14H16IO3- MolecularWeight: 359.17951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(C2=CC=C(C=C2)I)O)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)[C@H](C2=CC=C(C=C2)I)O)C(=O)[O-]

InChI

InChI=1S/C14H17IO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h5-8,11-13,16H,1-4H2,(H,17,18)/p-1/t11-,12-,13-/m0/s1