3-[2-carboxyethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylpropanoic acid
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![3-[2-carboxyethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c09dad3b6962425ba5cb8f936758e3a2.png "3-[2-carboxyethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylpropanoic acid")
3-[2-carboxyethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylpropanoic acid
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CAS No:
96964-39-5
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Formula:
C25H40O4S2
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Chemical Name:
3-[2-carboxyethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylpropanoic acid
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Synonyms:
4,6-dithia-5-(2-dodecylphenyl)nonanedioic acid; propanoic acid,3,3'-[[(2-dodecylphenyl)methylene]bis(thio)]bis; 5-(2-Dodecylphenyl)-4,6-dithianonanedioic acid;
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CAS No:
3-[2-carboxyethylsulfanyl-(2-dodecylphenyl)methyl]sulfanylpropanoic acid Basic Attributes
468.71300
468.23680210 g/mol
DTXSID40242649
2930909090
Computed Properties
Molecular Weight:468.7
XLogP3:8.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:20
Exact Mass:468.23680210
Monoisotopic Mass:468.23680210
Topological Polar Surface Area:125
Heavy Atom Count:31
Complexity:452
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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