5-[(2S,3S)-5-iodanyl-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole

Systemtic Name: 5-[(2S,3S)-5-iodanyl-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole Openeye Name: 5-[(2S,3S)-5-iodo-7-methoxy-3-methyl-2,3-dihydrobenzofuran-2-yl]-1,3-benzodioxole CAS Name: 5-[(2S,3S)-5-iodo-7-methoxy-3-methyl-2,3-dihydrobenzofuran-2-yl]-1,3-benzodioxole IUPAC Name: 5-[(2S,3S)-5-iodo-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole Traditional Name: 5-[(2S,3S)-5-iodo-7-methoxy-3-methyl-coumaran-2-yl]-1,3-benzodioxole Formula: C17H15IO4 MolecularWeight: 410.20307

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C(C=C(C=C12)I)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H]1[C@H](OC2=C(C=C(C=C12)I)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15IO4/c1-9-12-6-11(18)7-15(19-2)17(12)22-16(9)10-3-4-13-14(5-10)21-8-20-13/h3-7,9,16H,8H2,1-2H3/t9-,16-/m0/s1