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CAS Number: 3326-32-7
3',6'-dihydroxy-5-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one

Structure

3',6'-dihydroxy-5-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
Name: 3',6'-dihydroxy-5-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
Synonyms:
General Information
Product Number: 3326327

CAS Registry Number 3326-32-7
Name:
Spiro[isobenzofuran-​1(3H)​,​9'-​[9H]​xanthen]​-​3-​one, 3',​6'-​dihydroxy-​5-​isothiocyanato-
Fluorescein, 5-isothiocyanato- (8CI)
5-Isothiocyanatofluorescein
FITC isomer I
Fitc isomer 1
Fluorescein 5-isothiocyanate

 

Chemical Formula: C21H11NO5S
Exact Mass: 389.04
Molecular Weight: 389.38
m/z: 389.04 (100.0%), 390.04 (23.8%), 391.03 (4.5%), 391.04 (3.8%), 392.03 (1.0%)

 

InChI:InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H

InChI Key:MHMNJMPURVTYEJ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Specification

98%

References
  1. (1) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  2. (2) Hadjmohammadi, Mohammad Reza; Iranian Journal of Chemistry & Chemical Engineering 2008, V27(4), P9-12 CAPLUS
  3. (3) Maeda, Toshiki; Journal of Raman Spectroscopy 2008, V39(11), P1694-1702 CAPLUS
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