2-[(5aS,6S,9aR)-6-iodanyl-6,8-dimethoxy-5a,7-dihydrodibenzofuran-9a-yl]ethanenitrile

Systemtic Name: 2-[(5aS,6S,9aR)-6-iodanyl-6,8-dimethoxy-5a,7-dihydrodibenzofuran-9a-yl]ethanenitrile Openeye Name: 2-[(5aS,6S,9aR)-6-iodo-6,8-dimethoxy-5a,7-dihydrodibenzofuran-9a-yl]acetonitrile CAS Name: 2-[(5aS,6S,9aR)-6-iodo-6,8-dimethoxy-5a,7-dihydrodibenzofuran-9a-yl]acetonitrile IUPAC Name: 2-[(5aS,6S,9aR)-6-iodo-6,8-dimethoxy-5a,7-dihydrodibenzofuran-9a-yl]acetonitrile Traditional Name: 2-[(5aS,6S,9aR)-6-iodo-6,8-dimethoxy-5a,7-dihydrodibenzofuran-9a-yl]acetonitrile Formula: C16H16INO3 MolecularWeight: 397.20761

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2(C(C(C1)(OC)I)OC3=CC=CC=C32)CC#N

Isomeric SMILES

COC1=C[C@]2([C@@H]([C@@](C1)(OC)I)OC3=CC=CC=C32)CC#N

InChI

InChI=1S/C16H16INO3/c1-19-11-9-15(7-8-18)12-5-3-4-6-13(12)21-14(15)16(17,10-11)20-2/h3-6,9,14H,7,10H2,1-2H3/t14-,15+,16+/m0/s1