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Substance Name: 5-Isothiocyanatorhodamine B
RN: 122766-61-4
UNII: KXH3PZ1F27
InChIKey: RYLAWIGBNPYOMN-UHFFFAOYSA-N

Molecular Formula

  • C29-H30-N3-O3-S.Cl

Molecular Weight

  • 536.093
 
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Names and Synonyms

Name of Substance

  • 5-Isothiocyanatorhodamine B

Synonyms

  • 5-Isothiocyanatorhodamine B
  • UNII-KXH3PZ1F27
  • Xanthylium, 9-(2-carboxy-5-isothiocyanatophenyl)-3,6-bis(diethylamino)-, chloride (1:1)

Registry Numbers

CAS Registry Number

  • 122766-61-4

FDA UNII

  • KXH3PZ1F27

System Generated Number

  • 0122766614

Structure Descriptors

InChI

1S/C29H29N3O3S.ClH/c1-5-31(6-2)20-10-13-23-26(16-20)35-27-17-21(32(7-3)8-4)11-14-24(27)28(23)25-15-19(30-18-36)9-12-22(25)29(33)34;/h9-17H,5-8H2,1-4H3;1H

InChIKey

RYLAWIGBNPYOMN-UHFFFAOYSA-N

Smiles

CCN(CC)c1ccc2c(c1)oc-3cc(=[N+](CC)CC)ccc3c2c4cc(ccc4C(=O)O)N=C=S.[Cl-]