carbon monoxide; iron; methyl (4bR,8aR)-2-oxidanyl-8a,9-dihydro-4bH-carbazole-3-carboxylate

Systemtic Name: carbon monoxide; iron; methyl (4bR,8aR)-2-oxidanyl-8a,9-dihydro-4bH-carbazole-3-carboxylate Openeye Name: carbon monoxide; iron; methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate CAS Name: (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylic acid methyl ester; carbon monoxide; iron IUPAC Name: carbon monoxide; iron; methyl (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylate Traditional Name: (4bR,8aR)-2-hydroxy-8a,9-dihydro-4bH-carbazole-3-carboxylic acid methyl ester; carbon monoxide; iron Formula: C17H13FeNO6 MolecularWeight: 383.13322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1O)NC3C2C=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1O)N[C@H]3[C@@H]2C=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C14H13NO3.3CO.Fe/c1-18-14(17)10-6-9-8-4-2-3-5-11(8)15-12(9)7-13(10)16;3*1-2;/h2-8,11,15-16H,1H3;;;;/t8-,11-;;;;/m1..../s1