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2-[9',17'-bis(Benzenesulfonyl)-3',7',11',15',19',23',27'-heptamethyloctacosa-2',6',10',14',18',22',26'-heptaenyl]-4-methoxyphenol
SpectraBase Compound ID EK5fsQiQbI8
InChI InChI=1S/C54H72O6S2/c1-41(2)20-16-21-42(3)22-17-24-44(5)36-52(61(56,57)50-28-12-10-13-29-50)38-46(7)26-19-27-47(8)39-53(62(58,59)51-30-14-11-15-31-51)37-45(6)25-18-23-43(4)32-33-48-40-49(60-9)34-35-54(48)55/h10-15,20,22,25-26,28-32,34-36,39-40,52-53,55H,16-19,21,23-24,27,33,37-38H2,1-9H3/b42-22+,43-32+,44-36+,45-25+,46-26+,47-39+
InChIKey KZAGWAYRWJLTFP-PGNBOBFPSA-N
Mol Weight 881.3 g/mol
Molecular Formula C54H72O6S2
Exact Mass 880.477032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B2hmwm343v
Name 2-[9',17'-bis(Benzenesulfonyl)-3',7',11',15',19',23',27'-heptamethyloctacosa-2',6',10',14',18',22',26'-heptaenyl]-4-methoxyphenol
Alternate Name(s) 2-[(2E,6E,10E,14E,18E,22E)-9,17-bis(benzenesulfonyl)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-4-methoxyphenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H72O6S2
InChI InChI=1S/C54H72O6S2/c1-41(2)20-16-21-42(3)22-17-24-44(5)36-52(61(56,57)50-28-12-10-13-29-50)38-46(7)26-19-27-47(8)39-53(62(58,59)51-30-14-11-15-31-51)37-45(6)25-18-23-43(4)32-33-48-40-49(60-9)34-35-54(48)55/h10-15,20,22,25-26,28-32,34-36,39-40,52-53,55H,16-19,21,23-24,27,33,37-38H2,1-9H3/b42-22+,43-32+,44-36+,45-25+,46-26+,47-39+
InChIKey KZAGWAYRWJLTFP-PGNBOBFPSA-N
Molecular Weight 881.284 g/mol
SMILES Oc1c(C\C=C\(CC\C=C\(CC(S(=O)(=O)c2ccccc2)\C=C\(CC\C=C\(CC(S(=O)(=O)c2ccccc2)\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)cc(cc1)OC
SPLASH splash10-0693-9610000000-58a0e7c4895f0f34fd6c
Source of Spectrum AC-134-80-7
Wiley ID 812442