SpectraBase Compound ID | Fkf0Eucmzkt |
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InChI | InChI=1S/C56H34/c1-2-12-34-33(11-1)51-35-13-3-4-14-36(35)52(34)44-24-30-22-32-26-46-45(25-31(32)21-29(30)23-43(44)51)55-41-19-9-10-20-42(41)56(46)50-28-48-47(27-49(50)55)53-37-15-5-7-17-39(37)54(48)40-18-8-6-16-38(40)53/h1-28,51-56H/t51-,52+,53-,54+,55-,56+ |
InChIKey | PNRJJJCDPWZHHS-AKIDNVLFSA-N |
Mol Weight | 706.9 g/mol |
Molecular Formula | C56H34 |
Exact Mass | 706.266051 g/mol |
SpectraBase Spectrum ID | I98JslhaxF1 |
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Name | 5,22[1',2']:7,20[1'',2'']:11,16[1''',2''']-Tribenzenononacene, 5,7,11,16,20,22-hexahydro- |
CAS Registry Number | 106750-30-5 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C56H34 |
InChI | InChI=1S/C56H34/c1-2-12-34-33(11-1)51-35-13-3-4-14-36(35)52(34)44-24-30-22-32-26-46-45(25-31(32)21-29(30)23-43(44)51)55-41-19-9-10-20-42(41)56(46)50-28-48-47(27-49(50)55)53-37-15-5-7-17-39(37)54(48)40-18-8-6-16-38(40)53/h1-28,51-56H/t51-,52+,53-,54+,55-,56+ |
InChIKey | PNRJJJCDPWZHHS-AKIDNVLFSA-N |
Molecular Weight | 706.888 g/mol |
SMILES | C12c3c(cc4C5c6ccccc6C(c4c3)c3ccccc53)C(c3c1cccc3)c1c2cc2c(cc3cc4C5c6ccccc6C(c4cc3c2)c2ccccc52)c1 |
SPLASH | splash10-0a4i-0002000900-e704dc8a8d62b4fa8a6c |
Source of Spectrum | F-42-1653-54 |
Synonyms | 5,22[1',2'],7,20[1',2'],11,16[1',2']-tribenzeno-5,7,11,16-,20,22-hexahydro-nonacene 5,22[1',2']:7,20[1'',2'']:11,16[1''',2''']-tribenzenononacene, 5,7,11,16,20,22-hexahydro- Pentadecacyclo[22.14.6.6(9,16).6(28,35).0(2,23).0(4,21).0(6,19).0(8,17).0(10,15).0(25,38).0(27,36).0(29,34).0(39,44).0(45,50).0(51,56)]hexapentaconta-2(23),3,5,7,10,12,14,17,19,21,25(38),26,29,31,33,36,39,41,43,45,47,49,51,53,55-pentacosaene |
Wiley ID | 1415242 |