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1-Propanesulfonamide, 3-[(2,5-dihydroxy-3,6-dipropylphenyl)thio]-N-octadecyl-
SpectraBase Compound ID IxgaV8vMqYM
InChI InChI=1S/C33H61NO4S2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-40(37,38)27-22-26-39-33-30(24-6-3)31(35)28-29(23-5-2)32(33)36/h28,34-36H,4-27H2,1-3H3
InChIKey AGIMEEFULRCDPA-UHFFFAOYSA-N
Mol Weight 600.0 g/mol
Molecular Formula C33H61NO4S2
Exact Mass 599.404202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ls0IDDZhKZV
Name 1-Propanesulfonamide, 3-[(2,5-dihydroxy-3,6-dipropylphenyl)thio]-N-octadecyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H61NO4S2
InChI InChI=1S/C33H61NO4S2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-40(37,38)27-22-26-39-33-30(24-6-3)31(35)28-29(23-5-2)32(33)36/h28,34-36H,4-27H2,1-3H3
InChIKey AGIMEEFULRCDPA-UHFFFAOYSA-N
Molecular Weight 599.974 g/mol
SMILES N(CCCCCCCCCCCCCCCCCC)S(CCCSc1c(c(cc(c1CCC)O)CCC)O)(=O)=O
SPLASH splash10-0k95-9360042000-24d33e314d132e893967
Source of Spectrum JX-2015-4-1302
Synonyms 3-((2,5-dihydroxy-3,6-dipropylphenyl)thio)-N-octadecylpropane-1-sulfonamide 3-[(2,5-dihydroxy-3,6-dipropylphenyl)sulfanyl]-N-octadecylpropane-1-sulfonamide 3-[(2,5-dihydroxy-3,6-dipropylphenyl)thio]-N-octadecyl-1-propanesulfonamide 3-(2,5-dihydroxy-3,6-dipropylphenyl)sulfanyl-N-octadecylpropane-1-sulfonamide 3-(2,5-dihydroxy-3,6-dipropyl-phenyl)sulfanyl-N-octadecyl-propane-1-sulfonamide 3-[2,5-bis(oxidanyl)-3,6-dipropyl-phenyl]sulfanyl-N-octadecyl-propane-1-sulfonamide
Wiley ID 1726691