4-(3,5-diethyl-4-oxidanyl-phenyl)carbonyloxy-3,5-dimethyl-benzoate; iron(2+)

Systemtic Name: 4-(3,5-diethyl-4-oxidanyl-phenyl)carbonyloxy-3,5-dimethyl-benzoate; iron(2+) Openeye Name: ferrous 4-(3,5-diethyl-4-hydroxy-benzoyl)oxy-3,5-dimethyl-benzoate CAS Name: 4-[(3,5-diethyl-4-hydroxyphenyl)-oxomethoxy]-3,5-dimethylbenzoate; iron(2+) IUPAC Name: 4-(3,5-diethyl-4-hydroxybenzoyl)oxy-3,5-dimethylbenzoate; iron(2+) Traditional Name: ferrous 4-(3,5-diethyl-4-hydroxy-benzoyl)oxy-3,5-dimethyl-benzoate Formula: C40H42FeO10 MolecularWeight: 738.60048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1O)CC)C(=O)OC2=C(C=C(C=C2C)C(=O)[O-])C.CCC1=CC(=CC(=C1O)CC)C(=O)OC2=C(C=C(C=C2C)C(=O)[O-])C.[Fe+2]

Isomeric SMILES

CCC1=CC(=CC(=C1O)CC)C(=O)OC2=C(C=C(C=C2C)C(=O)[O-])C.CCC1=CC(=CC(=C1O)CC)C(=O)OC2=C(C=C(C=C2C)C(=O)[O-])C.[Fe+2]

InChI

InChI=1S/2C20H22O5.Fe/c2*1-5-13-9-16(10-14(6-2)17(13)21)20(24)25-18-11(3)7-15(19(22)23)8-12(18)4;/h2*7-10,21H,5-6H2,1-4H3,(H,22,23);/q;;+2/p-2