4-Amino-5-[[(4-methylphenyl)sulfonyl]oxy]-2,7-naphthalenedisulfonic acid
C17H15NO9S3
6837-93-0 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  30 32 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.6685 8.4700 0.0 0
M  V30 2 S 6.6685 10.0100 0.0 0 VAL=6
M  V30 3 O 6.6685 11.5500 0.0 0
M  V30 4 O 5.1285 10.0100 0.0 0
M  V30 5 N 8.0021 6.1600 0.0 0
M  V30 6 S 1.3338 8.4700 0.0 0 VAL=6
M  V30 7 O 0.5638 7.1364 0.0 0
M  V30 8 O 2.1038 9.8036 0.0 0
M  V30 9 O 0.0000 9.2400 0.0 0
M  V30 10 S 5.3347 1.5400 0.0 0 VAL=6
M  V30 11 O 6.8747 1.5400 0.0 0
M  V30 12 O 3.7947 1.5400 0.0 0
M  V30 13 O 5.3347 0.0000 0.0 0
M  V30 14 C 12.8285 10.0100 0.0 0
M  V30 15 C 4.0011 5.3900 0.0 0
M  V30 16 C 5.3347 6.1600 0.0 0
M  V30 17 C 2.6674 6.1600 0.0 0
M  V30 18 C 4.0011 3.8500 0.0 0
M  V30 19 C 5.3347 7.7000 0.0 0
M  V30 20 C 6.6685 5.3900 0.0 0
M  V30 21 C 2.6674 7.7000 0.0 0
M  V30 22 C 5.3347 3.0800 0.0 0
M  V30 23 C 4.0011 8.4700 0.0 0
M  V30 24 C 6.6685 3.8500 0.0 0
M  V30 25 C 8.2085 10.0100 0.0 0
M  V30 26 C 8.9785 8.6764 0.0 0
M  V30 27 C 8.9785 11.3436 0.0 0
M  V30 28 C 10.5185 8.6764 0.0 0
M  V30 29 C 10.5185 11.3436 0.0 0
M  V30 30 C 11.2885 10.0100 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 19
M  V30 3 2 2 3
M  V30 4 2 2 4
M  V30 5 1 2 25
M  V30 6 1 5 20
M  V30 7 2 6 7
M  V30 8 2 6 8
M  V30 9 1 6 9
M  V30 10 1 6 21
M  V30 11 2 10 11
M  V30 12 2 10 12
M  V30 13 1 10 13
M  V30 14 1 10 22
M  V30 15 1 14 30
M  V30 16 2 15 16
M  V30 17 1 15 17
M  V30 18 1 15 18
M  V30 19 1 16 19
M  V30 20 1 16 20
M  V30 21 2 17 21
M  V30 22 2 18 22
M  V30 23 2 19 23
M  V30 24 2 20 24
M  V30 25 1 21 23
M  V30 26 1 22 24
M  V30 27 2 25 26
M  V30 28 1 25 27
M  V30 29 1 26 28
M  V30 30 2 27 29
M  V30 31 2 28 30
M  V30 32 1 29 30
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
6837-93-0

> <cas.index.name>
2,7-Naphthalenedisulfonic acid, 4-amino-5-[[(4-methylphenyl)sulfonyl]oxy]-

> <molecular.formula>
C17H15NO9S3

> <molecular.weight>
473.50

> <density.predicted>
1.683±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-1.16±0.40    Most Acidic Temp: 25 °C

$$$$
