(3aS,7aR)-1-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-2,3,3a,7a-tetrahydroindole; carbon monoxide; iron

Systemtic Name: (3aS,7aR)-1-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-2,3,3a,7a-tetrahydroindole; carbon monoxide; iron Openeye Name: (3aS,7aR)-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-2,3,3a,7a-tetrahydroindole; carbon monoxide; iron CAS Name: (3aS,7aR)-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-2,3,3a,7a-tetrahydroindole; carbon monoxide; iron IUPAC Name: (3aS,7aR)-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-2,3,3a,7a-tetrahydroindole; carbon monoxide; iron Traditional Name: (3aS,7aR)-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-2,3,3a,7a-tetrahydroindole; carbon monoxide; iron Formula: C19H16FeINO5 MolecularWeight: 521.08351

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CN(C2C1C=CC=C2)CC3=CC4=C(C=C3I)OCO4.[Fe]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CN([C@H]2[C@@H]1C=CC=C2)CC3=CC4=C(C=C3I)OCO4.[Fe]

InChI

InChI=1S/C16H16INO2.3CO.Fe/c17-13-8-16-15(19-10-20-16)7-12(13)9-18-6-5-11-3-1-2-4-14(11)18;3*1-2;/h1-4,7-8,11,14H,5-6,9-10H2;;;;/t11-,14-;;;;/m1..../s1