3H-Xanthen-3-one, 9-[4-(dimethylamino)phenyl]-2,6,7-trihydroxy-, sulfate (1:1) (salt)

CAS Registry Number®

71501-19-4
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CAS Name

3H-Xanthen-3-one, 9-[4-(dimethylamino)phenyl]-2,6,7-trihydroxy-, sulfate (1:1) (salt)

Molecular Formula

C21H17NO5.H2O4S

Cite this Page

3H-Xanthen-3-one, 9-[4-(dimethylamino)phenyl]-2,6,7-trihydroxy-, sulfate (1:1) (salt).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71501-19-4 (retrieved 2024-09-07) (CAS RN: 71501-19-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H17NO5.H2O4S/c1-22(2)12-5-3-11(4-6-12)21-13-7-15(23)17(25)9-19(13)27-20-10-18(26)16(24)8-14(20)21;1-5(2,3)4/h3-10,23-25H,1-2H3;(H2,1,2,3,4)

InChIKey

InChIKey=QEZUFUTYIOMXPI-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)O.OC=1C=C2C(=C3C(OC2=CC1O)=CC(=O)C(O)=C3)C4=CC=C(N(C)C)C=C4

Canonical SMILES

O=C1C=C2OC=3C=C(O)C(O)=CC3C(C=4C=CC(=CC4)N(C)C)=C2C=C1O.O=S(=O)(O)O

Other Names for this Substance

  • 3H-Xanthen-3-one, 9-[4-(dimethylamino)phenyl]-2,6,7-trihydroxy-, sulfate (1:1) (salt)
  • Fluorone, 9-(4′-dimethylaminophenyl)-2,3,7-trihydroxy-, sulfate