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(E,E,E)-1,3,5-Tris[4-(acetylthio)styryl]benzene
SpectraBase Compound ID 9q5FDolV3Ir
InChI InChI=1S/C36H30O3S3/c1-25(37)40-34-16-10-28(11-17-34)4-7-31-22-32(8-5-29-12-18-35(19-13-29)41-26(2)38)24-33(23-31)9-6-30-14-20-36(21-15-30)42-27(3)39/h4-24H,1-3H3/b7-4+,8-5+,9-6+
InChIKey JVVJMSHOGHHWLQ-OTWDQPKHSA-N
Mol Weight 606.8 g/mol
Molecular Formula C36H30O3S3
Exact Mass 606.135708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ShnXbU3lIT
Name (E,E,E)-1,3,5-Tris[4-(acetylthio)styryl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30O3S3
InChI InChI=1S/C36H30O3S3/c1-25(37)40-34-16-10-28(11-17-34)4-7-31-22-32(8-5-29-12-18-35(19-13-29)41-26(2)38)24-33(23-31)9-6-30-14-20-36(21-15-30)42-27(3)39/h4-24H,1-3H3/b7-4+,8-5+,9-6+
InChIKey JVVJMSHOGHHWLQ-OTWDQPKHSA-N
Molecular Weight 606.813 g/mol
SMILES c1(\C=C\c2cc(\C=C\c3ccc(SC(=O)C)cc3)cc(\C=C\c3ccc(SC(=O)C)cc3)c2)ccc(SC(=O)C)cc1
SPLASH splash10-06z9-0000796000-ef98edbe5384842a0887
Source of Spectrum F-68-1281-29
Synonyms S-{4-[(E)-2-(3,5-bis{(E)-2-[4-(acetylsulfanyl)phenyl]ethenyl}phenyl)ethenyl]phenyl} ethanethioate Ethanethioic acid S-[4-[(E)-2-[3,5-bis[(E)-2-[4-(acetylthio)phenyl]ethenyl]phenyl]ethenyl]phenyl] ester S-[4-[(E)-2-[3,5-bis[(E)-2-(4-acetylsulfanylphenyl)ethenyl]phenyl]ethenyl]phenyl] ethanethioate S-[4-[(E)-2-[3,5-bis[(E)-2-(4-acetylsulfanylphenyl)vinyl]phenyl]vinyl]phenyl] ethanethioate S-[4-[(E)-2-[3,5-bis[(E)-2-(4-ethanoylsulfanylphenyl)ethenyl]phenyl]ethenyl]phenyl] ethanethioate
Wiley ID 1571847