3,3'-Bis(4-sulfobutyl)-5,5'-diphenyl-9-ethyloxacarbocyanine betaine sodium salt

CAS
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CAS
35501-76-9
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Purity
96%
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Catalog Number

ACM35501769

Product Name

3,3'-Bis(4-sulfobutyl)-5,5'-diphenyl-9-ethyloxacarbocyanine betaine sodium salt

Structure

CAS

35501-76-9

Category

Heterocyclic Organic Compound

Synonyms

5-PHENYL-2-[2-[[5-PHENYL-3-(4-SULFOBUTYL)-2(3H)-BENZOXAZOLYLIDENE]METHYL]-1-BUTENYL]-3-(4-SULFOBUTYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT, SODIUM SALT;3,3'-BIS(4-SULFOBUTYL)-5,5'-DIPHENYL-9-ETHYLOXACARBOCYANINE BETAINE SODIUM SALT;GREEN SENSITIZER BCH 960

IUPAC Name

sodium;4-[(2E)-5-phenyl-2-[(2E)-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate

Molecular Weight

750.86

Molecular Formula

C₃₉H₃₉N₂NaO₈S₂

Canonical SMILES

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCCS(=O)(=O)[O-])C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCCS(=O)(=O)[O-].[Na+]

InChI Key

UTIGXBHIJIRMNK-UHFFFAOYSA-M

Melting Point

275ºC (dec.)(lit.)

Exact Mass

750.20500