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1-(3-Isothiocyatobenzyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]

CAS
155863-01-7
Catalog Number
ACM155863017-2
Category
Other Fluorophores
Molecular Weight
506.41
Molecular Formula
C25H20BrN3O2S

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Specification

IUPAC Name
2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-1,3-oxazole;bromide
Canonical SMILES
C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CC5=CC(=CC=C5)N=C=S)OC1.[Br-]
InChI
InChI=1S/C25H20N3O2S.BrH/c31-17-27-22-5-1-3-18(13-22)16-28-10-8-19(9-11-28)24-15-26-25(30-24)21-6-7-23-20(14-21)4-2-12-29-23;/h1,3,5-11,13-15H,2,4,12,16H2;1H/q+1;/p-1
InChI Key
ZLHULGGTEHEJGJ-UHFFFAOYSA-M
Appearance
Yellow crystalline
Storage
Stored at -20 °C
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