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

CAS Registry Number®

6749-36-6

CAS Name

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

Molecular Formula

C25H22N3O3S.Cl

Cite this Page

Xanthylium, 9-(2-carboxy-4-isothiocyanatophenyl)-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=6749-36-6 (retrieved 2025-01-05) (CAS RN: 6749-36-6).  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)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)18-8-5-15(26-14-32)11-21(18)25(29)30;/h5-13H,1-4H3;1H

InChIKey

InChIKey=ZIDZWKOOWSJOJR-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(N=C=S)=C1.[Cl-]

Canonical SMILES

[Cl-].O=C(O)C=1C=C(N=C=S)C=CC1C=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-isothiocyanatophenyl)-3,6-bis(dimethylamino)-, chloride (1:1)
  • Ammonium, [9-(2-carboxy-4-isothiocyanatophenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]dimethyl-, chloride
  • Methanaminium, N-[9-(2-carboxy-4-isothiocyanatophenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]-N-methyl-, chloride
  • Xanthylium, 9-(2-carboxy-4-isothiocyanatophenyl)-3,6-bis(dimethylamino)-, chloride
  • [9-(2-Carboxy-4-isothiocyanatophenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]dimethylammonium chloride

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Deleted or Replaced CAS Registry Numbers

1637760-32-7

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