5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic acid (CHEM346116)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:09:41 UTC | ||||||||
| Update Date | 2026-08-31 15:09:41 UTC | ||||||||
| Accession Number | CHEM346116 | ||||||||
| Identification | |||||||||
| Common Name | 5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic acid has the chemical formula C30H22N6O12S4. With an average molecular weight of 786.80 g/mol, 5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H22N6O12S4 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 786.018 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=CC=C1C2=NN(N=C2)C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N5N=CC(=N5)C6=CC=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C30H22N6O12S4/c37-49(38,39)25-11-5-19(6-12-25)27-17-31-35(33-27)23-9-3-21(29(15-23)51(43,44)45)1-2-22-4-10-24(16-30(22)52(46,47)48)36-32-18-28(34-36)20-7-13-26(14-8-20)50(40,41)42/h1-18H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/b2-1+ | ||||||||
| InChI Key | AAWPIVRLSWKPJI-OWOJBTEDSA-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
