(1S,2S)-2-[(R)-(5-iodanyl-2-methoxy-phenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(R)-(5-iodanyl-2-methoxy-phenyl)-oxidanyl-methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(R)-hydroxy-(5-iodo-2-methoxy-phenyl)methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(R)-hydroxy-(5-iodo-2-methoxyphenyl)methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(R)-hydroxy-(5-iodo-2-methoxyphenyl)methyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(R)-hydroxy-(5-iodo-2-methoxy-phenyl)methyl]cyclohexanecarboxylate Formula: C15H18IO4- MolecularWeight: 389.20549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)I)C(C2CCCCC2C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)I)[C@@H]([C@H]2CCCC[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C15H19IO4/c1-20-13-7-6-9(16)8-12(13)14(17)10-4-2-3-5-11(10)15(18)19/h6-8,10-11,14,17H,2-5H2,1H3,(H,18,19)/p-1/t10-,11-,14+/m0/s1