2-(Hexadecyloxy)-5-[[2-(3-methyl-5-sulfo-2(3H)-benzothiazolylidene)hydrazinyl]sulfonyl]benzoic acid
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![2-(Hexadecyloxy)-5-[[2-(3-methyl-5-sulfo-2(3H)-benzothiazolylidene)hydrazinyl]sulfonyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/481bc8335c564b0ca9f360643d20076e.png "2-(Hexadecyloxy)-5-[[2-(3-methyl-5-sulfo-2(3H)-benzothiazolylidene)hydrazinyl]sulfonyl]benzoic acid")
2-(Hexadecyloxy)-5-[[2-(3-methyl-5-sulfo-2(3H)-benzothiazolylidene)hydrazinyl]sulfonyl]benzoic acid
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CAS No:
24096-78-4
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Formula:
C31H45N3O8S3
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Chemical Name:
2-(Hexadecyloxy)-5-[[2-(3-methyl-5-sulfo-2(3H)-benzothiazolylidene)hydrazinyl]sulfonyl]benzoic acid
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Synonyms:
Benzoic acid,2-(hexadecyloxy)-5-[[2-(3-methyl-5-sulfo-2(3H)-benzothiazolylidene)hydrazinyl]sulfonyl]-;Benzoic acid,2-(hexadecyloxy)-5-sulfo-,5-[(3-methyl-5-sulfo-2-benzothiazolinylidene)hydrazide];2-(Hexadecyloxy)-5-[[2-(3-methyl-5-sulfo-2(3H)-benzothiazolylidene)hydrazinyl]sulfonyl]benzoic acid;NSC 270069
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CAS No:
2-(Hexadecyloxy)-5-[[2-(3-methyl-5-sulfo-2(3H)-benzothiazolylidene)hydrazinyl]sulfonyl]benzoic acid Basic Attributes
683.9 g/mol
683.90
Computed Properties
Molecular Weight:683.9
XLogP3:9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:21
Exact Mass:683.23687892
Monoisotopic Mass:683.23687892
Topological Polar Surface Area:205
Heavy Atom Count:45
Complexity:1140
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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