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2-[5',13'-bis(Benzenesulfonyl)-3',7',11',15',19',23'-hexamethyltetracosa-2',6',10',14',18',23'-hexaenyl]-4-methoxyphenol
SpectraBase Compound ID 4mYagm2skSC
InChI InChI=1S/C49H64O6S2/c1-37(2)18-15-19-38(3)20-16-21-39(4)32-47(56(51,52)45-24-11-9-12-25-45)33-40(5)22-17-23-41(6)34-48(57(53,54)46-26-13-10-14-27-46)35-42(7)28-29-43-36-44(55-8)30-31-49(43)50/h9-14,20,22,24-28,30-32,34,36,47-48,50H,1,15-19,21,23,29,33,35H2,2-8H3/b38-20+,39-32+,40-22+,41-34+,42-28+
InChIKey ZJMTUVBFCSHPSB-OAGPGOKPSA-N
Mol Weight 813.2 g/mol
Molecular Formula C49H64O6S2
Exact Mass 812.414432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmxVSHJQN5H
Name 2-[5',13'-bis(Benzenesulfonyl)-3',7',11',15',19',23'-hexamethyltetracosa-2',6',10',14',18',23'-hexaenyl]-4-methoxyphenol
Alternate Name(s) 2-[(2E,6E,10E,14E,18E)-5,13-bis(benzenesulfonyl)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,23-hexaen-1-yl]-4-methoxyphenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H64O6S2
InChI InChI=1S/C49H64O6S2/c1-37(2)18-15-19-38(3)20-16-21-39(4)32-47(56(51,52)45-24-11-9-12-25-45)33-40(5)22-17-23-41(6)34-48(57(53,54)46-26-13-10-14-27-46)35-42(7)28-29-43-36-44(55-8)30-31-49(43)50/h9-14,20,22,24-28,30-32,34,36,47-48,50H,1,15-19,21,23,29,33,35H2,2-8H3/b38-20+,39-32+,40-22+,41-34+,42-28+
InChIKey ZJMTUVBFCSHPSB-OAGPGOKPSA-N
Molecular Weight 813.165 g/mol
SMILES Oc1c(C\C=C\(CC(S(=O)(=O)c2ccccc2)\C=C\(CC\C=C\(CC(S(=O)(=O)c2ccccc2)\C=C\(CC\C=C\(CCCC(=C)C)C)C)C)C)C)cc(cc1)OC
SPLASH splash10-00ou-9530000000-83ae6904b1887f901de0
Source of Spectrum AC-134-80-6
Wiley ID 812443