Ferrocene, 1-[(1S)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-, (2S)-
CAS Registry Number®
849924-40-9
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CAS Name
Ferrocene, 1-[(1S)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-, (2S)-Molecular Formula
C38H52FeO2P2Cite this Page
Ferrocene, 1-[(1S)-1-[bis(1,1-dimethylethyl)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/ChemicalDetail.aspx?ref=849924-40-9 (retrieved ) (CAS RN: 849924-40-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C33H47O2P2.C5H5.Fe/c1-21-17-26(18-22(2)30(21)34-12)36(27-19-23(3)31(35-13)24(4)20-27)29-16-14-15-28(29)25(5)37(32(6,7)8)33(9,10)11;1-2-4-5-3-1;/h14-20,25H,1-13H3;1-5H;/q2*-1;+2/t25-;;/m0../s1
InChIKey
InChIKey=FAGZEBRZIQSTRG-WLOLSGMKSA-N
SMILES
P([C-]12[Fe+2]3456789(C1([C@@H]([P@@](C(C)(C)C)C(C)(C)C)C)=[CH]3C4(=C52[H])[H])[CH-]%10[CH]6=[CH]7[CH]8=[CH]9%10)(C%11=CC(C)=C(OC)C(C)=C%11)C%12=CC(C)=C(OC)C(C)=C%12
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(C)(C)C)C(C)(C)C)C)[Fe+2]89%10%116754[CH]=%12[CH]%11=[CH]%10[CH-]9[CH]%128)C)C
Other Names for this Substance
- Ferrocene, 1-[(1S)-1-[bis(1,1-dimethylethyl)phosphino]ethyl]-2-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-, (2S)-
