| Catalog Number |
ACM1038932670-1 |
| CAS |
1038932-67-0 |
| Synonyms |
[11-Bis(4-methoxyphenyl)phosphanyl-5-tricyclo[8,2,2,24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(4-methoxyphenyl)phosphane;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate |
| Molecular Weight |
994.64 |
| Molecular Formula |
C52H54BF4O4P2Rh |
| Canonical SMILES |
[B-](F)(F)(F)F.COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC.C1CC=CCCC=C1.[Rh] |
| InChI |
InChI=1S/C44H42O4P2.C8H12.BF4.Rh/c1-45-35-13-21-39(22-14-35)49(40-23-15-36(46-2)16-24-40)43-29-31-5-9-33(43)11-7-32-6-10-34(12-8-31)44(30-32)50(41-25-17-37(47-3)18-26-41)42-27-19-38(48-4)20-28-42;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-; |
| InChI Key |
OTNDHXHQSLLSTC-ONEVTFJLSA-N |
| Purity |
97% |
| Complexity |
946 |
| Covalently-Bonded Unit Count |
4 |
| Defined Atom Stereocenter Count |
0 |
| Exact Mass |
994.25815 |
| Heavy Atom Count |
64 |
| Hydrogen Bond Acceptor Count |
9 |
| Hydrogen Bond Donor Count |
0 |
| Isomeric SMILES |
[B-](F)(F)(F)F.COC1=CC=C(C=C1)P(C2=C3C=CC(=C2)CCC4=C(C=C(C=C4)CC3)P(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC.C1/C=C\CC/C=C\C1.[Rh] |
| Monoisotopic Mass |
994.25815 |
| Rotatable Bond Count |
10 |
| Topological Polar Surface Area |
36.9 Ų |
