4-butylbenzoate; iron(2+)

Systemtic Name: 4-butylbenzoate; iron(2+) Openeye Name: ferrous 4-butylbenzoate CAS Name: 4-butylbenzoate; iron(2+) IUPAC Name: 4-butylbenzoate; iron(2+) Traditional Name: ferrous 4-butylbenzoate Formula: C22H26FeO4 MolecularWeight: 410.28444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)[O-].CCCCC1=CC=C(C=C1)C(=O)[O-].[Fe+2]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)[O-].CCCCC1=CC=C(C=C1)C(=O)[O-].[Fe+2]

InChI

InChI=1S/2C11H14O2.Fe/c2*1-2-3-4-9-5-7-10(8-6-9)11(12)13;/h2*5-8H,2-4H2,1H3,(H,12,13);/q;;+2/p-2