methyl 3-iodanyl-4-[(1R)-3-oxidanyl-1-phenyl-propoxy]benzoate

Systemtic Name: methyl 3-iodanyl-4-[(1R)-3-oxidanyl-1-phenyl-propoxy]benzoate Openeye Name: methyl 4-[(1R)-3-hydroxy-1-phenyl-propoxy]-3-iodo-benzoate CAS Name: 4-[(1R)-3-hydroxy-1-phenylpropoxy]-3-iodobenzoic acid methyl ester IUPAC Name: methyl 4-[(1R)-3-hydroxy-1-phenylpropoxy]-3-iodobenzoate Traditional Name: 4-[(1R)-3-hydroxy-1-phenyl-propoxy]-3-iodo-benzoic acid methyl ester Formula: C17H17IO4 MolecularWeight: 412.21895

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC(CCO)C2=CC=CC=C2)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O[C@H](CCO)C2=CC=CC=C2)I

InChI

InChI=1S/C17H17IO4/c1-21-17(20)13-7-8-16(14(18)11-13)22-15(9-10-19)12-5-3-2-4-6-12/h2-8,11,15,19H,9-10H2,1H3/t15-/m1/s1