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  • 5-Phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl-1-butenyl]-3-(3-sulfopropyl)benzoxazolium hydroxide,inner salt],sodium salt
Structure

5-Phenyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl-1-butenyl]-3-(3-sulfopropyl)benzoxazolium hydroxide,inner salt],sodium salt

CAS
33628-03-4
Catalog Number
ACM33628034
Category
Other Products
Molecular Weight
722.8
Molecular Formula
C37H35N2NaO8S2

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Specification

Synonyms
phenylphenylsulfopropylbenzoxazolylidene-me-buten; PHENYLPHENYLSULFOPROPYLBENZOXAZOLYLIDENE-ME-BUTENYLSULFO-PR-BENZOXAZOLIUM OH,NA;
IUPAC Name
sodium 3-[(2Z)-5-phenyl-2-[(2Z)-2-[[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate
Canonical SMILES
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)[O-].[Na+]
InChI Key
MDBAEQGNAMHPTI-UHFFFAOYSA-M
Melting Point
265ºC (dec.)(lit.)
EC Number
251-603-2
Exact Mass
722.17300
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
9
H-Bond Donor
0
Safety Description
26-36
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