iron(3+); methanone; triphenylphosphanium

Systemtic Name: iron(3+); methanone; triphenylphosphanium Openeye Name: ferric; methanone; triphenylphosphonium CAS Name: iron(3+); methanone; triphenylphosphonium IUPAC Name: iron(3+); methanone; triphenylphosphanium Traditional Name: ferric; methanone; triphenylphosphonium Formula: C39H35FeO3P2+2 MolecularWeight: 669.485922

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]=O.[CH-]=O.[CH-]=O.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Fe+3]

Isomeric SMILES

[CH-]=O.[CH-]=O.[CH-]=O.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Fe+3]

InChI

InChI=1S/2C18H15P.3CHO.Fe/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h2*1-15H;3*1H;/q;;3*-1;+3/p+2