9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium

CAS Registry Number®

47724-48-1

CAS Name

9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium

Molecular Formula

C28H31N2O3

Cite this Page

9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=47724-48-1 (retrieved 2024-12-23) (CAS RN: 47724-48-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H31N2O3/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/h9-16,29-30H,6-8H2,1-5H3/q+1

InChIKey

InChIKey=BRIVWQJCHBUVLE-UHFFFAOYSA-N

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

Canonical SMILES

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

Other Names for this Substance

  • Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-
  • Benzoic acid, 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-, ethyl ester, conjugate monoacid
  • 9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium
  • Orange 1
  • Rhodamine 6G cation

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Deleted or Replaced CAS Registry Numbers

67053-81-0, 73003-86-8, 74871-36-6, 80083-39-2, 83138-67-4, 243858-82-4, 590409-68-0

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