benzoic acid; cyclopentyl(diphenyl)phosphane; gold; iron(2+)

Systemtic Name: benzoic acid; cyclopentyl(diphenyl)phosphane; gold; iron(2+) Openeye Name: ferrous; benzoic acid; cyclopentyl(diphenyl)phosphane; gold CAS Name: benzoic acid; cyclopentyl(diphenyl)phosphine; gold; iron(2+) IUPAC Name: benzoic acid; cyclopentyl(diphenyl)phosphane; gold; iron(2+) Traditional Name: ferrous; benzoic acid; cyclopentyl(diphenyl)phosphine; gold Formula: C48H40Au2FeO4P2+2 MolecularWeight: 1192.554422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Au].[Au]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Au].[Au]

InChI

InChI=1S/2C17H14P.2C7H6O2.2Au.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-14H;2*1-5H,(H,8,9);;;/q;;;;;;+2