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(E)-2-[(E)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]sulfonyl-3-(3,4-dihydroxyphenyl)-2-propenenitrile
SpectraBase Compound ID JCp4NUsgpP8
InChI InChI=1S/C18H12N2O6S/c19-9-13(5-11-1-3-15(21)17(23)7-11)27(25,26)14(10-20)6-12-2-4-16(22)18(24)8-12/h1-8,21-24H/b13-5+,14-6+
InChIKey JMRYQFOYVAUPPK-ACFHMISVSA-N
Mol Weight 384.36 g/mol
Molecular Formula C18H12N2O6S
Exact Mass 384.041607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YUYVxx8aRA
Name (E)-2-[(E)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]sulfonyl-3-(3,4-dihydroxyphenyl)-2-propenenitrile
Alternate Name(s) (E)-2-[(E)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]sulfonyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile (E)-2-[(E)-1-cyano-2-(3,4-dihydroxyphenyl)vinyl]sulfonyl-3-(3,4-dihydroxyphenyl)acrylonitrile (E)-2-[(E)-1-cyano-2-(3,4-dihydroxyphenyl)vinyl]sulfonyl-3-(3,4-dihydroxyphenyl)prop-2-enenitrile (E)-3-[3,4-bis(oxidanyl)phenyl]-2-[(E)-2-[3,4-bis(oxidanyl)phenyl]-1-cyano-ethenyl]sulfonyl-prop-2-enenitrile
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Formula C18H12N2O6S
InChI InChI=1S/C18H12N2O6S/c19-9-13(5-11-1-3-15(21)17(23)7-11)27(25,26)14(10-20)6-12-2-4-16(22)18(24)8-12/h1-8,21-24H/b13-5+,14-6+
InChIKey JMRYQFOYVAUPPK-ACFHMISVSA-N
Molecular Weight 384.362 g/mol
SMILES Oc1cc(\C=C/(S(\C(=C\c2ccc(c(c2)O)O)C#N)(=O)=O)C#N)ccc1O
SPLASH splash10-03di-0951000000-ce3b8d0d412e8b17f1b0
Source of Spectrum E1-39-4910-22
Wiley ID 1599086