C.I. Solvent Green 7
C16H10O10S3.3Na
6358-69-6 Copyright (C) 2025 ACS
 30 32  0  0  0  0  0  0  0  0999 V2000
    4.0012    3.0800    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    5.5412    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    7.7001    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.1037    9.0338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    6.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    6.9301    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   11.4397    8.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8996    5.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022   11.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022   10.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    9.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0017    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 24  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  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  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 19 26  2  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 25  2  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 24 29  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
> <cas.rn>
6358-69-6

> <ca.index.name>
1,3,6-Pyrenetrisulfonic acid, 8-hydroxy-, sodium salt (1:3)

> <molecular.formula>
C16H10O10S3.3Na

> <smiles.canonical>
[Na].O=S(=O)(O)C=1C=C(O)C2=CC=C3C(=CC(=C4C=CC1C2=C34)S(=O)(=O)O)S(=O)(=O)O

> <molecular.weight>
527.41

> <pka.experimental>
7.2

$$$$
