CAS 134339-08-5 1,1'-Dibutyl-3,3,3',3'-tetramethylindotricarbocyanine Hexafluorophosphate, ≥98%

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1,1'-Dibutyl-3,3,3',3'-tetramethylindotricarbocyanine Hexafluorophosphate, ≥98%

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Catalog Number

ACM134339085-1

Product Name

1,1'-Dibutyl-3,3,3',3'-tetramethylindotricarbocyanine Hexafluorophosphate, ≥98%

Structure

CAS

134339-08-5

Category

Other Materials

IUPAC Name

(2E)-1-butyl-2-[(2E,4E,6E)-7-(1-butyl-3,3-dimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethylindole;hexafluorophosphate

Molecular Weight

638.7g/mol

Molecular Formula

C35H45F6N2P

Canonical SMILES

CCCCN1C2=CC=CC=C2C(C1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCC)(C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C35H45N2.F6P/c1-7-9-26-36-30-22-18-16-20-28(30)34(3,4)32(36)24-14-12-11-13-15-25-33-35(5,6)29-21-17-19-23-31(29)37(33)27-10-8-2;1-7(2,3,4,5)6/h11-25H,7-10,26-27H2,1-6H3;/q+1;-1

InChI Key

GUFQKTNQEKEMJE-UHFFFAOYSA-N

Complexity

905

Covalently-Bonded Unit Count

Exact Mass

638.322455g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

638.322455g/mol

Rotatable Bond Count