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2-[5',13'-bis(Benzenesulfonyl)-5',13'-bis(methoxycarbonyl)-3',7',11',15',19',23'-hexamethyltetracosa-2',6',10',14,18',23'-hexaenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
SpectraBase Compound ID 4zOxmsIngt9
InChI InChI=1S/C55H70O12S2/c1-40(2)21-18-22-41(3)23-19-24-42(4)36-54(51(56)64-9,68(59,60)48-27-14-12-15-28-48)37-43(5)25-20-26-44(6)38-55(52(57)65-10,69(61,62)49-29-16-13-17-30-49)39-45(7)31-32-46-35-47(63-8)33-34-50(46)67-53(58)66-11/h12-17,23,25,27-31,33-36,38H,1,18-22,24,26,32,37,39H2,2-11H3/b41-23+,42-36+,43-25+,44-38+,45-31+
InChIKey JDTILYXZFIUXMD-DURHMFFUSA-N
Mol Weight 987.3 g/mol
Molecular Formula C55H70O12S2
Exact Mass 986.43087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJSin1P4dVQ
Name 2-[5',13'-bis(Benzenesulfonyl)-5',13'-bis(methoxycarbonyl)-3',7',11',15',19',23'-hexamethyltetracosa-2',6',10',14,18',23'-hexaenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
Alternate Name(s) 1,11-dimethyl (3E,7E)-2,10-bis(benzenesulfonyl)-2-[(2E)-4-{5-methoxy-2-[(methoxycarbonyl)oxy]phenyl}-2-methylbut-2-en-1-yl]-4,8-dimethyl-10-[(1E,5E)-2,6,10-trimethylundeca-1,5,10-trien-1-yl]undeca-3,7-dienedioate
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Formula C55H70O12S2
InChI InChI=1S/C55H70O12S2/c1-40(2)21-18-22-41(3)23-19-24-42(4)36-54(51(56)64-9,68(59,60)48-27-14-12-15-28-48)37-43(5)25-20-26-44(6)38-55(52(57)65-10,69(61,62)49-29-16-13-17-30-49)39-45(7)31-32-46-35-47(63-8)33-34-50(46)67-53(58)66-11/h12-17,23,25,27-31,33-36,38H,1,18-22,24,26,32,37,39H2,2-11H3/b41-23+,42-36+,43-25+,44-38+,45-31+
InChIKey JDTILYXZFIUXMD-DURHMFFUSA-N
Molecular Weight 987.273 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(\C=C\(CC\C=C\(CC(S(=O)(=O)c1ccccc1)(\C=C\(CC\C=C\(CCCC(=C)C)C)C)C(=O)OC)C)C)(C(=O)OC)C\C(=C\Cc1c(OC(=O)OC)ccc(c1)OC)C
SPLASH splash10-00kf-9100000000-aa11b1254c9e0deafa58
Source of Spectrum AC-134-78-6
Wiley ID 812447