3-[({2-[(2,4-Dichlorophenyl)sulfonyl]ethyl}sulfanyl)methyl]-1-benzothiophene

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Systematic / IUPAC Name: 3-[({2-[(2,4-Dichlorophenyl)sulfonyl]ethyl}sulfanyl)methyl]-1-benzothiophene

ID: Reference3601

Other Names: Benzo[b]thiophene, 3-[({2-[(2,4-dichlorophenyl)sulfonyl]ethyl}thio)methyl]-

Formula: C17H14Cl2O2S3

Spectral Data

3-[({2-[(2,4-Dichlorophenyl)sulfonyl]ethyl}sulfanyl)methyl]-1-benzothiophene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 90
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 1/14/2016 12:17:58 PM
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Identificators

InChI InChI=1S/C17H14Cl2O2S3/c18-13-5-6-17(15(19)9-13)24(20,21)8-7-22-10-12-11-23-16-4-2-1-3-14(12)16/h1-6,9,11H,7-8,10H2
InChI Key HUOOSGIEENAPCE-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=CS2)CSCCS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl
CAS
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Other Names Benzo[b]thiophene, 3-[({2-[(2,4-dichlorophenyl)sulfonyl]ethyl}thio)methyl]-

In Other Databases

ChemSpider 2090770
PubChem 2812365