(4aR,9aR)-8-heptyl-5,6-dimethoxy-7-methyl-9,9a-dihydro-4aH-carbazole; carbon monoxide; iron

Systemtic Name: (4aR,9aR)-8-heptyl-5,6-dimethoxy-7-methyl-9,9a-dihydro-4aH-carbazole; carbon monoxide; iron Openeye Name: (4aR,9aR)-8-heptyl-5,6-dimethoxy-7-methyl-9,9a-dihydro-4aH-carbazole; carbon monoxide; iron CAS Name: (4aR,9aR)-8-heptyl-5,6-dimethoxy-7-methyl-9,9a-dihydro-4aH-carbazole; carbon monoxide; iron IUPAC Name: (4aR,9aR)-8-heptyl-5,6-dimethoxy-7-methyl-9,9a-dihydro-4aH-carbazole; carbon monoxide; iron Traditional Name: (4aR,9aR)-8-heptyl-5,6-dimethoxy-7-methyl-9,9a-dihydro-4aH-carbazole; carbon monoxide; iron Formula: C25H31FeNO5 MolecularWeight: 481.36234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C2=C1NC3C2C=CC=C3)OC)OC)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCCCCCCC1=C(C(=C(C2=C1N[C@H]3[C@@H]2C=CC=C3)OC)OC)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C22H31NO2.3CO.Fe/c1-5-6-7-8-9-12-16-15(2)21(24-3)22(25-4)19-17-13-10-11-14-18(17)23-20(16)19;3*1-2;/h10-11,13-14,17-18,23H,5-9,12H2,1-4H3;;;;/t17-,18+;;;;/m0..../s1