(7S,8R,10R)-7-iodanyl-8-[(2-methylpropan-2-yl)oxy]-10-(phenylmethoxymethyl)oxecan-2-one

Systemtic Name: (7S,8R,10R)-7-iodanyl-8-[(2-methylpropan-2-yl)oxy]-10-(phenylmethoxymethyl)oxecan-2-one Openeye Name: (7S,8R,10R)-10-(benzyloxymethyl)-8-tert-butoxy-7-iodo-oxecan-2-one CAS Name: (7S,8R,10R)-7-iodo-8-[(2-methylpropan-2-yl)oxy]-10-(phenylmethoxymethyl)-2-oxecanone IUPAC Name: (7S,8R,10R)-7-iodo-8-[(2-methylpropan-2-yl)oxy]-10-(phenylmethoxymethyl)oxecan-2-one Traditional Name: (7S,8R,10R)-10-(benzoxymethyl)-8-tert-butoxy-7-iodo-oxecan-2-one Formula: C21H31IO4 MolecularWeight: 474.37291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1CC(OC(=O)CCCCC1I)COCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)O[C@@H]1C[C@@H](OC(=O)CCCC[C@@H]1I)COCC2=CC=CC=C2

InChI

InChI=1S/C21H31IO4/c1-21(2,3)26-19-13-17(15-24-14-16-9-5-4-6-10-16)25-20(23)12-8-7-11-18(19)22/h4-6,9-10,17-19H,7-8,11-15H2,1-3H3/t17-,18+,19-/m1/s1