cyclopentane; [4-[(4-cyclopentylphenyl)iminomethyl]phenyl] octadecanoate; iron(2+)

Systemtic Name: cyclopentane; [4-[(4-cyclopentylphenyl)iminomethyl]phenyl] octadecanoate; iron(2+) Openeye Name: ferrous; cyclopentane; [4-[(4-cyclopentylphenyl)iminomethyl]phenyl] octadecanoate CAS Name: cyclopentane; iron(2+); octadecanoic acid [4-[(4-cyclopentylphenyl)iminomethyl]phenyl] ester IUPAC Name: cyclopentane; [4-[(4-cyclopentylphenyl)iminomethyl]phenyl] octadecanoate; iron(2+) Traditional Name: ferrous; cyclopentane; stearic acid [4-[(4-cyclopentylphenyl)iminomethyl]phenyl] ester Formula: C41H53FeNO2+2 MolecularWeight: 647.71002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C=NC2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C=NC2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C36H48NO2.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-36(38)39-35-28-22-31(23-29-35)30-37-34-26-24-33(25-27-34)32-19-17-18-20-32;1-2-4-5-3-1;/h17-20,22-30H,2-16,21H2,1H3;1-5H;/q;;+2