Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1)

CAS Registry Number®

13161-28-9
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CAS Name

Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1)

Molecular Formula

C28H31N2O3.ClO4

Cite this Page

Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13161-28-9 (retrieved 2024-04-29) (CAS RN: 13161-28-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H31N2O3.ClHO4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29-30H,6-8H2,1-5H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

InChIKey=WUONMKNUJIXUFL-UHFFFAOYSA-M

SMILES

C(OCC)(=O)C1=C(C=2C3=C([O+]=C4C2C=C(C)C(NCC)=C4)C=C(NCC)C(C)=C3)C=CC=C1.Cl(=O)(=O)(=O)[O-]

Canonical SMILES

O=C(OCC)C=1C=CC=CC1C=2C=3C=C(C(=CC3[O+]=C4C=C(NCC)C(=CC42)C)NCC)C.O=Cl(=O)(=O)[O-]

Other Names for this Substance

  • Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1)
  • Benzoic acid, o-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monoperchlorate
  • Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, monoperchlorate
  • Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate
  • Rhodamine 6G perchlorate

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Deleted or Replaced CAS Registry Numbers

856306-33-7, 1202867-07-9

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