3,3'-{Sulfonylbis[(2-nitro-4,1-phenylene)azanediyl]}bis(6-anilinobenzene-1-sulfonic acid) (CHEM058670)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-02 22:30:18 UTC | ||||||||
| Update Date | 2026-05-20 17:13:05 UTC | ||||||||
| Accession Number | CHEM058670 | ||||||||
| Identification | |||||||||
| Common Name | 3,3'-{Sulfonylbis[(2-nitro-4,1-phenylene)azanediyl]}bis(6-anilinobenzene-1-sulfonic acid) | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C36H28N6O12S3 | ||||||||
| Average Molecular Mass | 832.830 g/mol | ||||||||
| Monoisotopic Mass | 832.093 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-anilino-5-[4-[4-(4-anilino-3-sulfoanilino)-3-nitrophenyl]sulfonyl-2-nitroanilino]benzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OS(=O)(=O)C1=C(NC2=CC=CC=C2)C=CC(NC2=CC=C(C=C2[N+]([O-])=O)S(=O)(=O)C2=CC(=C(NC3=CC(=C(NC4=CC=CC=C4)C=C3)S(O)(=O)=O)C=C2)[N+]([O-])=O)=C1 | ||||||||
| InChI Identifier | InChI=1S/C36H28N6O12S3/c43-41(44)33-21-27(13-17-29(33)39-25-11-15-31(35(19-25)56(49,50)51)37-23-7-3-1-4-8-23)55(47,48)28-14-18-30(34(22-28)42(45)46)40-26-12-16-32(36(20-26)57(52,53)54)38-24-9-5-2-6-10-24/h1-22,37-40H,(H,49,50,51)(H,52,53,54) | ||||||||
| InChI Key | SDOBKHZVBNIBHO-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
