3,3'-Disulfopropyl-5,6,5',6'-dibenz-9-ethyloxacarbocyanine triethylammonium salt

CAS

92771-39-6

Catalog Number

ACM92771396

Category

Other Products

Molecular Weight

749.94

Molecular Formula

C₃₉H₄₇N₃O₈S₂

MSDS COA Spec Sheet

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Specification

Synonyms

3,3'-DISULFOPROPYL-5,6,5',6'-DIBENZ-9-ETHYLOXACARBOCYANINE TRIETHYLAMMONIUM SALT;3-(3-Sulfoproyl)-2-[2-[[3-(3-sulfopropyl)naphth[2,3-d]oxazole-2(3H)-ylidene]methyl]-1-butenyl]-naphth[2,3-d] oxazolium,inner salt,compd. with N,N-diethylethanamine

IUPAC Name

N,N-diethylethanamine;3-[(2Z)-2-[(2E)-2-[[3-(3-sulfopropyl)benzo[f][1,3]benzoxazol-3-ium-2-yl]methylidene]butylidene]benzo[f][1,3]benzoxazol-3-yl]propane-1-sulfonate

Canonical SMILES

CCC(=CC1=[N+](C2=CC3=CC=CC=C3C=C2O1)CCCS(=O)(=O)O)C=C4N(C5=CC6=CC=CC=C6C=C5O4)CCCS(=O)(=O)[O-].CCN(CC)CC

InChI Key

WRVGURKARDSWNT-UHFFFAOYSA-N

Exact Mass

749.28000

H-Bond Acceptor

H-Bond Donor