N,N'-Dioctadecyloxacarbocyanine p-toluenesulfonate,99

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Catalog Number
ACM60711742
Product Name
N,N'-Dioctadecyloxacarbocyanine p-toluenesulfonate,99
Structure
Structure
CAS
60711-74-2
Category
Heterocyclic Organic Compound
Synonyms
N,N'-Dioctadecyloxacarbocyanine p-toluenesulfonate;N,N'-DIOCTADECYLOXACARBOCYANINE P-TOLUENESULFONATE, 99;Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl- 2(3H)-benzoxazolylidene)-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)
IUPAC Name
4-methylbenzenesulfonate; 3-octadecyl-2-[3-(3-octadecyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Molecular Weight
953.462
Molecular Formula
C53H85N2O2.C7H7O3S
Canonical SMILES
CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCCCCCCCCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI Key
AGONTKXFFSJLQO-UHFFFAOYSA-M
Exact Mass
952.67300
H-Bond Acceptor
6
H-Bond Donor
0
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