Xanthylium, 9-(2-carboxy-4-thiocyanatophenyl)-3,6-bis(dimethylamino)-, chloride (1:1)

CAS Registry Number®

4158-89-8

CAS Name

Xanthylium, 9-(2-carboxy-4-thiocyanatophenyl)-3,6-bis(dimethylamino)-, chloride (1:1)

Molecular Formula

C25H22N3O3S.Cl

Cite this Page

Xanthylium, 9-(2-carboxy-4-thiocyanatophenyl)-3,6-bis(dimethylamino)-, chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4158-89-8 (retrieved 2024-11-26) (CAS RN: 4158-89-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H21N3O3S.ClH/c1-27(2)15-5-8-19-22(11-15)31-23-12-16(28(3)4)6-9-20(23)24(19)18-10-7-17(32-14-26)13-21(18)25(29)30;/h5-13H,1-4H3;1H

InChIKey

InChIKey=JGVWCANSWKRBCS-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=2C3=C([O+]=C4C2C=CC(N(C)C)=C4)C=C(N(C)C)C=C3)C=CC(SC#N)=C1.[Cl-]

Canonical SMILES

[Cl-].N#CSC=1C=CC(=C(C1)C(=O)O)C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(C)C)N(C)C

Other Names for this Substance

  • Xanthylium, 9-(2-carboxy-4-thiocyanatophenyl)-3,6-bis(dimethylamino)-, chloride (1:1)
  • Ammonium, [9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]dimethyl-, chloride
  • Methanaminium, N-[9-(2-carboxy-4-thiocyanatophenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]-N-methyl-, chloride
  • Xanthylium, 9-(2-carboxy-4-thiocyanatophenyl)-3,6-bis(dimethylamino)-, chloride
  • Thiocyanatotetramethylrhodamine

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