Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoate (1:1)

CAS Registry Number®

6373-07-5

CAS Name

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoate (1:1)

Molecular Formula

C28H31N2O3.C18H35O2

Cite this Page

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6373-07-5 (retrieved 2024-11-22) (CAS RN: 6373-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H30N2O3.C18H36O2/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-18H,5-8H2,1-4H3;2-17H2,1H3,(H,19,20)

InChIKey

InChIKey=CELKVAQKCIJCLK-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=2C3=C([O+]=C4C2C=CC(N(CC)CC)=C4)C=C(N(CC)CC)C=C3)C=CC=C1.C(CCCCCCCCCCC)CCCCCC([O-])=O

Canonical SMILES

O=C(O)C=1C=CC=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(CC)CC)N(CC)CC.O=C([O-])CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoate (1:1)
  • Ammonium, [9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, stearate
  • Ethanaminium, N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, octadecanoate
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, octadecanoate
  • [9-(o-Carboxyphenyl)-6-diethylamino-3H-xanthen-3-ylidene]diethylammonium stearate

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Deleted or Replaced CAS Registry Numbers

108627-48-1, 71093-62-4, 83711-70-0

CAS INSIGHTSTM
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