3,3'-Bis-(3-sulfopropyl)-5-chloro-9-ethyl-5'-phenyloxacarbocyanine betaine sodium salt

CAS

67326-80-1

Catalog Number

ACM67326801

Category

Other Products

Molecular Weight

681.15

Molecular Formula

C₃₁H₃₀ClN₂NaO₈S₂

MSDS COA Spec Sheet

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Specification

Synonyms

3,3'-DI-(3-SULFOPROPYL)-5-CHLOR-5'PHENYL-9-ETHYL-BENZOXAZOLO-TRIMETHINECYANINE SODIUM SALT;3,3'-BIS(3-SULFOPROPYL)-5-CHLORO-9-ETHYL-5'-PHENYLOXACARBOCYANINE BETAINE SODIUM SALT;SODIUM-1-W-SULFOPROPYL-2-(2-ETHYL-3-(1-W-SULFOPROPYL-6-PHENYL- 1,3-BENZOXAZ O

IUPAC Name

sodium 3-[(2E)-2-[(2Z)-2-[[5-chloro-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazol-3-yl]propane-1-sulfonate

Canonical SMILES

CCC(=CC1=[N+](C2CC(=CC=C2O1)Cl)CCCS(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCCS(=O)(=O)[O-].[Na+]

InChI Key

ASOSKAFNSSMLDX-UHFFFAOYSA-M

Melting Point

244-246ºC(lit.)

EC Number

266-643-6

Exact Mass

680.10300

H-Bond Acceptor

H-Bond Donor