SpectraBase Compound ID | 989VelLUHkx |
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InChI | InChI=1S/C73H92O16S3/c1-53(2)28-24-29-54(3)30-25-31-55(4)47-71(67(74)85-11,90(78,79)63-36-18-15-19-37-63)48-56(5)32-26-33-57(6)49-72(68(75)86-12,91(80,81)64-38-20-16-21-39-64)50-58(7)34-27-35-59(8)51-73(69(76)87-13,92(82,83)65-40-22-17-23-41-65)52-60(9)42-43-61-46-62(84-10)44-45-66(61)89-70(77)88-14/h15-23,28,30,32,34,36-42,44-47,49,51H,24-27,29,31,33,35,43,48,50,52H2,1-14H3/b54-30+,55-47+,56-32+,57-49+,58-34+,59-51+,60-42+ |
InChIKey | DMPVURSTIQXVCF-OSHHIQILSA-N |
Mol Weight | 1321.7 g/mol |
Molecular Formula | C73H92O16S3 |
Exact Mass | 1320.55475 g/mol |
SpectraBase Spectrum ID | B347058gtGU |
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Name | 2-[5',13',21'-tris(Benzenesulfonyl)-5',13',21-tris(methoxycarbonyl)-3',7',11',15',19',23',27',31'-octamethyltriaconta-2',6',10',14',18',22',26',30'-octaenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C73H92O16S3 |
InChI | InChI=1S/C73H92O16S3/c1-53(2)28-24-29-54(3)30-25-31-55(4)47-71(67(74)85-11,90(78,79)63-36-18-15-19-37-63)48-56(5)32-26-33-57(6)49-72(68(75)86-12,91(80,81)64-38-20-16-21-39-64)50-58(7)34-27-35-59(8)51-73(69(76)87-13,92(82,83)65-40-22-17-23-41-65)52-60(9)42-43-61-46-62(84-10)44-45-66(61)89-70(77)88-14/h15-23,28,30,32,34,36-42,44-47,49,51H,24-27,29,31,33,35,43,48,50,52H2,1-14H3/b54-30+,55-47+,56-32+,57-49+,58-34+,59-51+,60-42+ |
InChIKey | DMPVURSTIQXVCF-OSHHIQILSA-N |
Molecular Weight | 1321.703 g/mol |
SMILES | C(S(=O)(=O)c1ccccc1)(\C=C\(CC\C=C\(CC(S(=O)(=O)c1ccccc1)(\C=C\(CC\C=C\(CC(S(=O)(=O)c1ccccc1)(\C=C\(CC\C=C\(CCC=C(C)C)C)C)C(=O)OC)C)C)C(=O)OC)C)C)(C(=O)OC)C\C(=C\Cc1c(OC(=O)OC)ccc(c1)OC)C |
SPLASH | splash10-004l-9200000000-a30150449316def3ffd2 |
Source of Spectrum | AC-134-79-8 |
Wiley ID | 812445 |