5-ethoxy-2-[2-[(3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium

Modify Date: 2024-09-21 13:00:05

5-ethoxy-2-[2-[(3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium structure	Common Name	5-ethoxy-2-[2-[(3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium
	CAS Number	55811-25-1	Molecular Weight	591.64400
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₇H₃₂N₂O₄S₂Se	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	3-[5-ethoxy-2-[2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

Molecular Formula	C₂₇H₃₂N₂O₄S₂Se
Molecular Weight	591.64400
Exact Mass	592.09700
PSA	129.58000
LogP	5.06330
InChIKey	KTQCCGGJPFHOIH-UHFFFAOYSA-N
SMILES	CCOc1ccc2c(c1)N(CCCS(=O)(=O)[O-])C(=CC(=Cc1[se]c3ccc(C)cc3[n+]1CC)CC)S2

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