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Rhodamine B-5(or 6)-isothiocyanate

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Catalog Number CI-BP-0078
Product Name Rhodamine B-5(or 6)-isothiocyanate
CAS 100684-36-4
Synonyms Hexapeptide-11
IUPAC Name 3',6'-bis(diethylamino)-5-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular Weight 499.6 g/mol
Molecular Formula C29H29N3O3S
InChI InChI=1S/C29H29N3O3S/c1-5-31(6-2)20-10-13-23-26(16-20)34-27-17-21(32(7-3)8-4)11-14-24(27)29(23)25-15-19(30-18-36)9-12-22(25)28(33)35-29/h9-17H,5-8H2,1-4H3
InChI Key OTFIRIMNKLNLIK-UHFFFAOYSA-N
Density 1.235 g/mL
Appearance Crystalline powder
Isomeric SMILES CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=C(C=CC(=C5)N=C=S)C(=O)O3
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