3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
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![3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/36ad535ca9214985b569fa8b97b99336.png "3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate")
3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
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CAS No:
5153-82-2
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Formula:
C29H30N2O4S3
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Chemical Name:
3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate
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Synonyms:
STK396421;AKOS000507419;MCULE-6332737601;ST50231546;3-(2-{(1E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate;3-(2-{(1E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-enyl}naphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate;3-{2-[(1E)-2-ethyl-3-(3-ethyl-5-methoxy(3-hydrobenzothiazol-2-ylidene))prop-1- enyl]benzo[e]benzothiazolyl}propanesulfonic acid;5153-82-2
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CAS No:
3-[2-[(E)-2-[(Z)-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]propane-1-sulfonate Basic Attributes
566.8 g/mol
566.13677096 g/mol
Computed Properties
Molecular Weight:566.8
XLogP3:7.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:566.13677096
Monoisotopic Mass:566.13677096
Topological Polar Surface Area:136
Heavy Atom Count:38
Complexity:968
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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