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Merck
CN

53441

BETO solution

Synonym(s):

4-[6-(Benzothiazol-2-yl)-2,3-dihydro-3-methylbenzothiazol-2-ylidenemethyl]-1-methylquinolinium iodide

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About This Item

Empirical Formula (Hill Notation):
C26H20IN3S2
Molecular Weight:
565.49
UNSPSC Code:
31211706
PubChem Substance ID:
329757935
MDL number:
MFCD22200866

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InChI

1S/C26H20N3S2.HI/c1-28-14-13-17(19-7-3-5-9-21(19)28)16-25-29(2)22-12-11-18(15-24(22)30-25)26-27-20-8-4-6-10-23(20)31-26;/h3-16H,1-2H3;1H/q+1;/p-1

SMILES string

[I-].CN1\C(Sc2cc(ccc12)-c3nc4ccccc4s3)=C\c5cc[n+](C)c6ccccc56

InChI key

GXAGDKCPDSRBGZ-UHFFFAOYSA-M

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