6-Carboxytetramethylrhodamine
C25H22N2O5
91809-67-5 Copyright (C) 2026 ACS
 32 35  0  0  0  0  0  0  0  0999 V2000
    5.2811   10.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2912   11.4430    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.7977   10.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4876    5.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    4.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6405    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9743    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9752   10.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3090    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9752   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6405    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6405    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9743    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9743    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3079    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9743    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3079    5.3900    0.0000 O   0  3  0  0  0  3  0  0  0  0  0  0
    7.9743    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6416    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3079   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6405    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6416    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530    7.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7544    8.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0641    6.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670    9.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5766    6.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1780    8.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 20  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  CHG  2   2  -1  20   1
M  END
> <cas.rn>
91809-67-5

> <ca.index.name>
Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(dimethylamino)-, inner salt

> <molecular.formula>
C25H22N2O5

> <smiles.canonical>
O=C([O-])C=1C=CC(=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(C)C)N(C)C)C(=O)O

> <molecular.weight>
430.45

> <melting.point.experimental>
>280 °C

> <pka.predicted>
3.289±0.36    Most Acidic Temp: 25 °C

$$$$
