methyl 2-[(2R,7R)-6-iodanyl-7-phenyl-oxepan-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R,7R)-6-iodanyl-7-phenyl-oxepan-2-yl]ethanoate Openeye Name: methyl 2-[(2R,7R)-6-iodo-7-phenyl-oxepan-2-yl]acetate CAS Name: 2-[(2R,7R)-6-iodo-7-phenyl-2-oxepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,7R)-6-iodo-7-phenyloxepan-2-yl]acetate Traditional Name: 2-[(2R,7R)-6-iodo-7-phenyl-oxepan-2-yl]acetic acid methyl ester Formula: C15H19IO3 MolecularWeight: 374.21403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCC(C(O1)C2=CC=CC=C2)I

Isomeric SMILES

COC(=O)C[C@H]1CCCC([C@H](O1)C2=CC=CC=C2)I

InChI

InChI=1S/C15H19IO3/c1-18-14(17)10-12-8-5-9-13(16)15(19-12)11-6-3-2-4-7-11/h2-4,6-7,12-13,15H,5,8-10H2,1H3/t12-,13?,15-/m1/s1