carbon monoxide; 6-cyclohexa-2,4-dien-1-yl-2-heptyl-4-methoxy-3-methyl-aniline; iron

Systemtic Name: carbon monoxide; 6-cyclohexa-2,4-dien-1-yl-2-heptyl-4-methoxy-3-methyl-aniline; iron Openeye Name: carbon monoxide; 6-cyclohexa-2,4-dien-1-yl-2-heptyl-4-methoxy-3-methyl-aniline; iron CAS Name: carbon monoxide; 6-(1-cyclohexa-2,4-dienyl)-2-heptyl-4-methoxy-3-methylaniline; iron IUPAC Name: carbon monoxide; 6-cyclohexa-2,4-dien-1-yl-2-heptyl-4-methoxy-3-methylaniline; iron Traditional Name: carbon monoxide; (6-cyclohexa-2,4-dien-1-yl-2-heptyl-4-methoxy-3-methyl-phenyl)amine; iron Formula: C24H31FeNO4 MolecularWeight: 453.35224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=CC(=C1C)OC)C2CC=CC=C2)N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCCCCCCC1=C(C(=CC(=C1C)OC)C2CC=CC=C2)N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C21H31NO.3CO.Fe/c1-4-5-6-7-11-14-18-16(2)20(23-3)15-19(21(18)22)17-12-9-8-10-13-17;3*1-2;/h8-10,12,15,17H,4-7,11,13-14,22H2,1-3H3;;;;