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

CAS Registry Number®

84912-22-1

CAS Name

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

Molecular Formula

C28H31N2O3.HO4S

Cite this Page

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84912-22-1 (retrieved 2024-11-22) (CAS RN: 84912-22-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H30N2O3.H2O4S/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;1-5(2,3)4/h9-18H,5-8H2,1-4H3;(H2,1,2,3,4)

InChIKey

InChIKey=BNZWRERQQNZTGE-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.S(=O)(=O)([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=S(=O)([O-])O

Other Names for this Substance

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

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