3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid
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![3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0dd8b8719d054278ad23592960e6722c.png "3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid")
3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid
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CAS No:
96964-40-8
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Formula:
C27H36O4S2
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Chemical Name:
3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid
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Synonyms:
4,6-dithia-5-[2-(8-phenyloctyl)phenyl]nonanedioic acid; 5-(2-(8-Phenyloctyl)phenyl)-4,6-dithianonanedioic acid; Propanoic acid,3,3'-(((2-(8-phenyloctyl)phenyl)methylene)bis(thio))bis;
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CAS No:
3-[2-carboxyethylsulfanyl-[2-(8-phenyloctyl)phenyl]methyl]sulfanylpropanoic acid Basic Attributes
488.70200
488.20550197 g/mol
DTXSID50242650
2930909090
Computed Properties
Molecular Weight:488.7
XLogP3:7.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:488.20550197
Monoisotopic Mass:488.20550197
Topological Polar Surface Area:125
Heavy Atom Count:33
Complexity:516
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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