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2-Propanone, 1,3-bis(3H-1,2-benzodithiol-3-ylidene)-, (Z,Z)-
SpectraBase Compound ID EP12jaVehNN
InChI InChI=1S/C17H10OS4/c18-11(9-16-12-5-1-3-7-14(12)19-21-16)10-17-13-6-2-4-8-15(13)20-22-17/h1-10H/b16-9-,17-10+
InChIKey ATBBTXOXMADQGH-ZAGBYUSBSA-N
Mol Weight 358.5 g/mol
Molecular Formula C17H10OS4
Exact Mass 357.96145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBu9LYV4f4K
Name 2-Propanone, 1,3-bis(3H-1,2-benzodithiol-3-ylidene)-, (Z,Z)-
Alternate Name(s) (1Z,3E)-1,3-di(3H-1,2-benzodithiol-3-ylidene)-2-propanone 1,3-bis-(1,2-benzodithiol-3-ylidene)-2-propanone 3H-1,2-benzodithiole, 2-propanone deriv.
CAS Registry Number 69856-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10OS4
InChI InChI=1S/C17H10OS4/c18-11(9-16-12-5-1-3-7-14(12)19-21-16)10-17-13-6-2-4-8-15(13)20-22-17/h1-10H/b16-9-,17-10+
InChIKey ATBBTXOXMADQGH-ZAGBYUSBSA-N
Molecular Weight 358.506 g/mol
SMILES c12SS\C(c2cccc1)=C\C(\C=C/1SSc2c1cccc2)=O
SPLASH splash10-0006-0902000000-63595781583bc3e765e5
Source of Spectrum F-34-2178-0
Wiley ID 1346851