SpectraBase Compound ID | 9Yq7wYJrucC |
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InChI | InChI=1S/C56H34/c1-2-12-30-22-32-24-42-41(23-31(32)21-29(30)11-1)55-47-25-43-45(53-37-17-7-3-13-33(37)51(43)34-14-4-8-18-38(34)53)27-49(47)56(42)50-28-46-44(26-48(50)55)52-35-15-5-9-19-39(35)54(46)40-20-10-6-16-36(40)52/h1-28,51-56H/t51-,52-,53+,54+,55-,56+ |
InChIKey | PFPDTUVNJCREKP-DITKXWOESA-N |
Mol Weight | 706.9 g/mol |
Molecular Formula | C56H34 |
Exact Mass | 706.266051 g/mol |
SpectraBase Spectrum ID | 5OvEwNa8egX |
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Name | 7,16[2',3']-Anthraceno-5,18[1',2']:9,14[1'',2'']-dibenzenoheptacene, 5,7,9,14,16,18-hexahydro- |
CAS Registry Number | 103960-18-5 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C56H34 |
InChI | InChI=1S/C56H34/c1-2-12-30-22-32-24-42-41(23-31(32)21-29(30)11-1)55-47-25-43-45(53-37-17-7-3-13-33(37)51(43)34-14-4-8-18-38(34)53)27-49(47)56(42)50-28-46-44(26-48(50)55)52-35-15-5-9-19-39(35)54(46)40-20-10-6-16-36(40)52/h1-28,51-56H/t51-,52-,53+,54+,55-,56+ |
InChIKey | PFPDTUVNJCREKP-DITKXWOESA-N |
Molecular Weight | 706.888 g/mol |
SMILES | C12c3c(cc4C5c6ccccc6C(c4c3)c3ccccc53)C(c3c1cc1c(cc4c(c1)cccc4)c3)c1c2cc2C3c4ccccc4C(c2c1)c1ccccc31 |
SPLASH | splash10-0006-9022000000-bc6f1c1dcd9316f6eabe |
Source of Spectrum | C-108-6679-14 |
Synonyms | 7,16[2',3']-anthraceno-5,18[1',2']:9,14[1'',2'']-dibenzenoheptacene, 5,7,9,14,16,18-hexahydro- Pentadecacyclo[14.14.14.6(5,12).6(20,27).0(2,15).0(4,13).0(6,11).0(17,30).0(19,28).0(21,26).0(31,44).0(33,42).0(35,40).0(45,50).0(51,56)]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,31,32,34,36,38,40,42,45,47,49,51,53,55-pentacosaen |
Wiley ID | 1415241 |