5-Carboxy-X-rhodamine
C33H30N2O5
216699-35-3 Copyright (C) 2025 ACS
 40 47  0  0  0  0  0  0  0  0999 V2000
    8.0279   10.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5113   10.5307    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.0178   11.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6187    8.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0172   10.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7076    7.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3900    0.0000 O   0  3  0  0  0  3  0  0  0  0  0  0
    4.0011   10.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   10.0100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674   12.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1560    7.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5546    8.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2450    6.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0421    9.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7325    6.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1310    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 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 40  1  0  0  0  0
M  CHG  2   2  -1  15   1
M  END
> <cas.rn>
216699-35-3

> <cas.index.name>
1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-(2,4-dicarboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-, inner salt

> <molecular.formula>
C33H30N2O5

> <molecular.weight>
534.60

> <pka.predicted>
4.252±0.10    Most Acidic Temp: 25 °C

$$$$
