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5-Chloro-3-[(E)-(((E)-2-[(2-([(E)-(5-chloro-3-formyl-2-hydroxyphenyl)methylidene]amino)ethyl)sulfanyl]ethyl)imino)methyl]-2-hydroxybenzaldehyde
SpectraBase Compound ID BHjHrBYXjdN
InChI InChI=1S/C20H18Cl2N2O4S/c21-17-5-13(19(27)15(7-17)11-25)9-23-1-3-29-4-2-24-10-14-6-18(22)8-16(12-26)20(14)28/h5-12,27-28H,1-4H2/b23-9+,24-10+
InChIKey YRRXJQDLWOQVJY-WDBPGAOMSA-N
Mol Weight 453.34 g/mol
Molecular Formula C20H18Cl2N2O4S
Exact Mass 452.036434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79S0jJZIluA
Name 5-Chloro-3-[(E)-(((E)-2-[(2-([(E)-(5-chloro-3-formyl-2-hydroxyphenyl)methylidene]amino)ethyl)sulfanyl]ethyl)imino)methyl]-2-hydroxybenzaldehyde
CAS Registry Number 100198-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18Cl2N2O4S
InChI InChI=1S/C20H18Cl2N2O4S/c21-17-5-13(19(27)15(7-17)11-25)9-23-1-3-29-4-2-24-10-14-6-18(22)8-16(12-26)20(14)28/h5-12,27-28H,1-4H2/b23-9+,24-10+
InChIKey YRRXJQDLWOQVJY-WDBPGAOMSA-N
Molecular Weight 453.340 g/mol
SMILES Oc1c(\C=N\CCSCC\N=C\c2c(c(cc(c2)Cl)C=O)O)cc(cc1C=O)Cl
SPLASH splash10-0a4i-6910000000-4a7b11262dc2363c176a
Source of Spectrum O-21-191-10
Wiley ID 1388152