2-diphenylphosphanylethyl(diphenyl)phosphane; iron(2+); tributyl phosphite

Systemtic Name: 2-diphenylphosphanylethyl(diphenyl)phosphane; iron(2+); tributyl phosphite Openeye Name: ferrous; 2-diphenylphosphanylethyl(diphenyl)phosphane; tributyl phosphite CAS Name: 2-diphenylphosphinoethyl(diphenyl)phosphine; iron(2+); phosphorous acid tributyl ester IUPAC Name: 2-diphenylphosphanylethyl(diphenyl)phosphane; iron(2+); tributyl phosphite Traditional Name: ferrous; 2-diphenylphosphinoethyl(diphenyl)phosphine; phosphorous acid tributyl ester Formula: C64H75FeO3P5+2 MolecularWeight: 1102.992305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(OCCCC)OCCCC.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Fe+2]

Isomeric SMILES

CCCCOP(OCCCC)OCCCC.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Fe+2]

InChI

InChI=1S/2C26H24P2.C12H27O3P.Fe/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;/h2*1-20H,21-22H2;4-12H2,1-3H3;/q;;;+2