Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C44H36N4O13S4 |
| Molecular Weight | 957.036 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)\N=N\C3=CC=C(C=C3C)C4=CC=C(\N=N\C5=C(C=C6C=C(C=C(OS(=O)(=O)C7=CC=C(C)C=C7)C6=C5O)S(O)(=O)=O)S(O)(=O)=O)C(C)=C4
InChI
InChIKey=NGWNNXZMJJDFAT-RWQOEDTISA-N
InChI=1S/C44H36N4O13S4/c1-26-5-15-35(16-6-26)64(56,57)60-34-13-11-33(12-14-34)45-46-38-19-9-30(21-28(38)3)31-10-20-39(29(4)22-31)47-48-43-41(63(53,54)55)24-32-23-37(62(50,51)52)25-40(42(32)44(43)49)61-65(58,59)36-17-7-27(2)8-18-36/h5-25,49H,1-4H3,(H,50,51,52)(H,53,54,55)/b46-45+,48-47+
| Molecular Formula | C44H36N4O13S4 |
| Molecular Weight | 957.036 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 2 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 18:49:02 GMT 2025
by
admin
on
Wed Apr 02 18:49:02 GMT 2025
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| Record UNII |
2VAG2KT9FQ
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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2VAG2KT9FQ
Created by
admin on Wed Apr 02 18:49:02 GMT 2025 , Edited by admin on Wed Apr 02 18:49:02 GMT 2025
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747357-20-6
Created by
admin on Wed Apr 02 18:49:02 GMT 2025 , Edited by admin on Wed Apr 02 18:49:02 GMT 2025
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| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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![Structure of 2,7-Naphthalenedisulfonic acid, 3-[[3,3?-dimethyl-4?-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1?-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, disodium salt](/img/985a2052-a2ef-4cbd-a2cb-f367bb9b18a3.svg "Structure of 2,7-Naphthalenedisulfonic acid, 3-[[3,3?-dimethyl-4?-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1?-biphenyl]-4-yl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]oxy]-, disodium salt")