3-diphenylphosphanylpropyl(diphenyl)phosphane; iron(3+); hydrochloride

Systemtic Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; iron(3+); hydrochloride Openeye Name: ferric 3-diphenylphosphanylpropyl(diphenyl)phosphane hydrochloride CAS Name: 3-diphenylphosphinopropyl(diphenyl)phosphine; iron(3+); hydrochloride IUPAC Name: 3-diphenylphosphanylpropyl(diphenyl)phosphane; iron(3+); hydrochloride Traditional Name: ferric 3-diphenylphosphinopropyl(diphenyl)phosphine hydrochloride Formula: C54H53ClFeP4+3 MolecularWeight: 917.191664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl.[Fe+3]

Isomeric SMILES

C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl.[Fe+3]

InChI

InChI=1S/2C27H26P2.ClH.Fe/c2*1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;/h2*1-12,14-21H,13,22-23H2;1H;/q;;;+3