Ferrocene, 1-[(1S)-1-[bis(3,5-dimethylphenyl)phosphino]ethyl]-2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-, (2S)-

CAS Registry Number®

849924-48-7

CAS Name

Ferrocene, 1-[(1S)-1-[bis(3,5-dimethylphenyl)phosphino]ethyl]-2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-, (2S)-

Molecular Formula

C46H52FeO2P2

Cite this Page

Ferrocene, 1-[(1S)-1-[bis(3,5-dimethylphenyl)phosphino]ethyl]-2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-, (2S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=849924-48-7 (retrieved 2024-11-25) (CAS RN: 849924-48-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H47O2P2.C5H5.Fe/c1-25-15-26(2)18-34(17-25)44(35-19-27(3)16-28(4)20-35)33(9)38-13-12-14-39(38)45(36-21-29(5)40(42-10)30(6)22-36)37-23-31(7)41(43-11)32(8)24-37;1-2-4-5-3-1;/h12-24,33H,1-11H3;1-5H;/q2*-1;+2/t33-;;/m0../s1

InChIKey

InChIKey=QIIVCIRSWUAZLO-NYPSMHOZSA-N

SMILES

P([C-]12[Fe+2]3456789(C1([C@@H](P(C%10=CC(C)=CC(C)=C%10)C%11=CC(C)=CC(C)=C%11)C)=[CH]3C4(=C52[H])[H])[CH-]%12[CH]6=[CH]7[CH]8=[CH]9%12)(C%13=CC(C)=C(OC)C(C)=C%13)C%14=CC(C)=C(OC)C(C)=C%14

Canonical SMILES

O(C=1C(=CC(=CC1C)P(C=2C=C(C(OC)=C(C2)C)C)[C-]34[CH]5=[CH]6[CH]7=C3(C(P(C=8C=C(C=C(C8)C)C)C=9C=C(C=C(C9)C)C)C)[Fe+2]%10%11%12%136754[CH]=%14[CH]%13=[CH]%12[CH-]%11[CH]%14%10)C)C

Other Names for this Substance

  • Ferrocene, 1-[(1S)-1-[bis(3,5-dimethylphenyl)phosphino]ethyl]-2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-, (2S)-

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