hydrogen sulfate; iron; (triphenyl-$l^{5}-phosphanylidene)oxidanium

Systemtic Name: hydrogen sulfate; iron; (triphenyl-$l^{5}-phosphanylidene)oxidanium Openeye Name: hydrogen sulfate; iron; (triphenyl-$l^{5}-phosphanylidene)oxonium CAS Name: hydrogen sulfate; iron; triphenylphosphoranylideneoxonium IUPAC Name: hydrogen sulfate; iron; (triphenyl-$l^{5}-phosphanylidene)oxidanium Traditional Name: iron; triphenylphosphoranylideneoxonium; bisulfate Formula: C36H33FeO6P2S+ MolecularWeight: 711.501142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=[OH+])(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=[OH+])(C2=CC=CC=C2)C3=CC=CC=C3.OS(=O)(=O)[O-].[Fe]

Isomeric SMILES

C1=CC=C(C=C1)P(=[OH+])(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=[OH+])(C2=CC=CC=C2)C3=CC=CC=C3.OS(=O)(=O)[O-].[Fe]

InChI

InChI=1S/2C18H15OP.Fe.H2O4S/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;1-5(2,3)4/h2*1-15H;;(H2,1,2,3,4)/p+1