4-[[2-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid
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![4-[[2-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1c53ef00dffe442ca8cfaaaaf63670c6.png "4-[[2-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid")
4-[[2-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid
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CAS No:
577700-45-9
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Formula:
C20H17N3O5S
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Chemical Name:
4-[[2-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid
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Synonyms:
4-[(2-{(Z)-2-carboxy-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethenyl}phenoxy)methyl]benzoic acid;ZINC9360080;STK138350;STL056318;AKOS005404245;AKOS005709009;(2Z)-3-{2-[(4-carboxybenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;577700-45-9
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CAS No:
4-[[2-[(Z)-2-carboxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethenyl]phenoxy]methyl]benzoic acid Basic Attributes
411.4 g/mol
411.08889182 g/mol
Computed Properties
Molecular Weight:411.4
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:411.08889182
Monoisotopic Mass:411.08889182
Topological Polar Surface Area:151
Heavy Atom Count:29
Complexity:609
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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