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2-{9',17'-bis(Benzenesulfonyl)-9',17'-bis(methoxycarbonyl)-3',7',11',15',19',23',27'-heptamethyloctacosa-2',6',10',14',18',22',26'-heptaenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
SpectraBase Compound ID I7MCB6oN5PR
InChI InChI=1S/C60H78O12S2/c1-44(2)23-19-24-45(3)25-20-27-47(5)40-59(56(61)69-10,73(64,65)53-31-15-13-16-32-53)42-49(7)29-22-30-50(8)43-60(57(62)70-11,74(66,67)54-33-17-14-18-34-54)41-48(6)28-21-26-46(4)35-36-51-39-52(68-9)37-38-55(51)72-58(63)71-12/h13-18,23,25,28-29,31-35,37-40,43H,19-22,24,26-27,30,36,41-42H2,1-12H3/b45-25+,46-35+,47-40+,48-28+,49-29+,50-43+
InChIKey YEAOSRCQEWAMOQ-TYTCBCHOSA-N
Mol Weight 1055.4 g/mol
Molecular Formula C60H78O12S2
Exact Mass 1054.49347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNtLJ9YdlWQ
Name 2-{9',17'-bis(Benzenesulfonyl)-9',17'-bis(methoxycarbonyl)-3',7',11',15',19',23',27'-heptamethyloctacosa-2',6',10',14',18',22',26'-heptaenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
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Formula C60H78O12S2
InChI InChI=1S/C60H78O12S2/c1-44(2)23-19-24-45(3)25-20-27-47(5)40-59(56(61)69-10,73(64,65)53-31-15-13-16-32-53)42-49(7)29-22-30-50(8)43-60(57(62)70-11,74(66,67)54-33-17-14-18-34-54)41-48(6)28-21-26-46(4)35-36-51-39-52(68-9)37-38-55(51)72-58(63)71-12/h13-18,23,25,28-29,31-35,37-40,43H,19-22,24,26-27,30,36,41-42H2,1-12H3/b45-25+,46-35+,47-40+,48-28+,49-29+,50-43+
InChIKey YEAOSRCQEWAMOQ-TYTCBCHOSA-N
Molecular Weight 1055.392 g/mol
SMILES C(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\CC\C(=C\Cc1c(OC(=O)OC)ccc(c1)OC)C)C
SPLASH splash10-00ou-9100000000-7821de20d208f6ec8ae7
Source of Spectrum AC-134-79-7
Synonyms 1,11-dimethyl (3E,7E)-2,10-bis(benzenesulfonyl)-2-[(2E,6E)-8-{5-methoxy-2-[(methoxycarbonyl)oxy]phenyl}-2,6-dimethylocta-2,6-dien-1-yl]-4,8-dimethyl-10-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]undeca-3,7-dienedioate
Wiley ID 812446