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Methyl-Butiphane SK-P005-2a , CAS No.849920-73-6
Basic Description
Synonyms | 849920-73-6|2,3-Bis[(2S,5S)-2,5-dimethylphospholan-1-yl]-1-benzothiophene;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate|Methyl-Butiphane SK-P005-2a|DTXSID30584202|(S,S,S,S)-2,3-BIS(2,5-DIMETHYL-PHOSPHOLANYL)BENZO[B]THIOPHENE CYCLOOCTADIENE RHO |
Storage Temp | Room temperature |
Shipped In | Normal |
Names and Identifiers
IUPAC Name | 2,3-bis[(2S,5S)-2,5-dimethylphospholan-1-yl]-1-benzothiophene;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate |
INCHI | InChI=1S/C20H28P2S.C8H12.BF4.Rh/c1-13-9-10-14(2)21(13)19-17-7-5-6-8-18(17)23-20(19)22-15(3)11-12-16(22)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t13-,14-,15-,16-;;;/m0.../s1 |
InChi Key | ROQCIQNDSCZIGH-KZOFNLLLSA-N |
Canonical SMILES | [B-](F)(F)(F)F.CC1CCC(P1C2=C(SC3=CC=CC=C32)P4C(CCC4C)C)C.C1CC=CCCC=C1.[Rh] |
Isomeric SMILES | [B-](F)(F)(F)F.C[C@@H]1P([C@H](CC1)C)C2=C(SC3=CC=CC=C23)P4[C@H](CC[C@@H]4C)C.C1/C=C\CC/C=C\C1.[Rh] |
PubChem CID | 16216974 |
Molecular Weight | 660.34 |
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