Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H18N2O10S2 |
| Molecular Weight | 594.569 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=C(C=C(NC2=CC=C(OS(=O)(=O)C3=CC(=CC=C3)C(O)=O)C=C2)C4=C1C(=O)C5=C(C=CC=C5)C4=O)S(O)(=O)=O
InChI
InChIKey=CIPZLICZDITJNZ-UHFFFAOYSA-N
InChI=1S/C27H18N2O10S2/c28-24-21(40(34,35)36)13-20(22-23(24)26(31)19-7-2-1-6-18(19)25(22)30)29-15-8-10-16(11-9-15)39-41(37,38)17-5-3-4-14(12-17)27(32)33/h1-13,29H,28H2,(H,32,33)(H,34,35,36)
| Molecular Formula | C27H18N2O10S2 |
| Molecular Weight | 594.569 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:35:50 GMT 2025
by
admin
on
Wed Apr 02 20:35:50 GMT 2025
|
| Record UNII |
9J6CH8K33P
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English |
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41011-55-6
Created by
admin on Wed Apr 02 20:35:50 GMT 2025 , Edited by admin on Wed Apr 02 20:35:50 GMT 2025
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170453
Created by
admin on Wed Apr 02 20:35:50 GMT 2025 , Edited by admin on Wed Apr 02 20:35:50 GMT 2025
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9J6CH8K33P
Created by
admin on Wed Apr 02 20:35:50 GMT 2025 , Edited by admin on Wed Apr 02 20:35:50 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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![Structure of 3-[[4-[(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]benzoic acid disodium salt](/img/0d870711-adfc-4ba1-bfe7-d57351751460.svg "Structure of 3-[[4-[(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenoxy]sulfonyl]benzoic acid disodium salt")