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1-Anthracenesulfonamide, 9,10-dihydro-5-nitro-9,10-dioxo-N-[2-(3-pentadecylphenoxy)butyl]-
SpectraBase Compound ID xTgZ31Q6YQ
InChI InChI=1S/C39H50N2O7S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-29-21-17-22-31(27-29)48-30(4-2)28-40-49(46,47)35-26-19-24-33-37(35)39(43)32-23-18-25-34(41(44)45)36(32)38(33)42/h17-19,21-27,30,40H,3-16,20,28H2,1-2H3
InChIKey HOLIYJGDKBVNIG-UHFFFAOYSA-N
Mol Weight 690.9 g/mol
Molecular Formula C39H50N2O7S
Exact Mass 690.333873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzV0LQLKqMh
Name 1-Anthracenesulfonamide, 9,10-dihydro-5-nitro-9,10-dioxo-N-[2-(3-pentadecylphenoxy)butyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H50N2O7S
InChI InChI=1S/C39H50N2O7S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-29-21-17-22-31(27-29)48-30(4-2)28-40-49(46,47)35-26-19-24-33-37(35)39(43)32-23-18-25-34(41(44)45)36(32)38(33)42/h17-19,21-27,30,40H,3-16,20,28H2,1-2H3
InChIKey HOLIYJGDKBVNIG-UHFFFAOYSA-N
Molecular Weight 690.896 g/mol
SMILES N(CC(Oc1cccc(CCCCCCCCCCCCCCC)c1)CC)S(=O)(=O)c1cccc2C(=O)c3c(cccc3[N+]([O-])=O)C(=O)c12
SPLASH splash10-0ap0-4749000000-9cac20bb52f09c5414f0
Source of Spectrum JX-2015-4-1440
Synonyms 5-Nitro-9,10-dioxo-N-(2-(3-pentadecylphenoxy)butyl)-9,10-dihydroanthracene-1-sulfonamide 5-Nitro-9,10-dioxo-N-[2-(3-pentadecylphenoxy)butyl]-9,10-dihydroanthracene-1-sulfonamide 5-Nitro-9,10-dioxo-N-[2-(3-pentadecylphenoxy)butyl]-1-anthracenesulfonamide 5-Nitro-9,10-dioxo-N-[2-(3-pentadecylphenoxy)butyl]anthracene-1-sulfonamide 5-Nitro-9,10-bis(oxidanylidene)-N-[2-(3-pentadecylphenoxy)butyl]anthracene-1-sulfonamide
Wiley ID 1726824