Details
Stereochemistry | ACHIRAL |
Molecular Formula | C51H67N4O9S2.C2F3O2 |
Molecular Weight | 1057.244 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 3 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[O-]C(=O)C(F)(F)F.CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCC[N+](C)(C)C)C4=CC=C(C=C4C3(C)C)S([O-])(=O)=O)=C2OC5=CC=C(CCC(O)=O)C=C5)N(CCC[N+](C)(C)C)C6=CC=C(C=C16)S([O-])(=O)=O
InChI
InChIKey=BBCIVAMITUFAHW-UHFFFAOYSA-N
InChI=1S/C51H66N4O9S2.C2HF3O2/c1-50(2)42-34-40(65(58,59)60)23-25-44(42)52(30-12-32-54(5,6)7)46(50)27-19-37-14-11-15-38(49(37)64-39-21-16-36(17-22-39)18-29-48(56)57)20-28-47-51(3,4)43-35-41(66(61,62)63)24-26-45(43)53(47)31-13-33-55(8,9)10;3-2(4,5)1(6)7/h16-17,19-28,34-35H,11-15,18,29-33H2,1-10H3;(H,6,7)
Molecular Formula | C2F3O2 |
Molecular Weight | 113.0154 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C51H67N4O9S2 |
Molecular Weight | 944.229 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 3 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:33:17 GMT 2023
by
admin
on
Sat Dec 16 19:33:17 GMT 2023
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Record UNII |
9FB8TLK3DL
|
Record Status |
Validated (UNII)
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Record Version |
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-
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164888952
Created by
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9FB8TLK3DL
Created by
admin on Sat Dec 16 19:33:17 GMT 2023 , Edited by admin on Sat Dec 16 19:33:17 GMT 2023
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300000043584
Created by
admin on Sat Dec 16 19:33:17 GMT 2023 , Edited by admin on Sat Dec 16 19:33:17 GMT 2023
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2412139-24-1
Created by
admin on Sat Dec 16 19:33:17 GMT 2023 , Edited by admin on Sat Dec 16 19:33:17 GMT 2023
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PRIMARY |
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ACTIVE MOIETY |
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