Benzenesulfonic acid, 5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, phenyl ester (CHEM063178)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 09:08:22 UTC | ||||||||
| Update Date | 2026-08-22 10:05:03 UTC | ||||||||
| Accession Number | CHEM063178 | ||||||||
| Identification | |||||||||
| Common Name | Benzenesulfonic acid, 5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, phenyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Benzenesulfonic acid, 5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, phenyl ester belongs to the sulfonated stilbenes, a subclass of stilbenes within the organic compounds. It is categorized under the superclass of phenylpropanoids and polyketides and has the formula C30H21N3O3S1. With an average molecular weight of 503.58 g/mol, Benzenesulfonic acid, 5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, phenyl ester is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H21N3O3S1 | ||||||||
| Average Molecular Mass | 503.580 g/mol | ||||||||
| Monoisotopic Mass | 503.130 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | phenyl 5-benzo[e]benzotriazol-2-yl-2-(2-phenylethenyl)benzenesulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | O=S(=O)(OC1=CC=CC=C1)C1=C(C=CC2=CC=CC=C2)C=CC(=C1)N1N=C2C=CC3=CC=CC=C3C2=N1 | ||||||||
| InChI Identifier | InChI=1S/C30H21N3O3S/c34-37(35,36-26-12-5-2-6-13-26)29-21-25(19-17-24(29)16-15-22-9-3-1-4-10-22)33-31-28-20-18-23-11-7-8-14-27(23)30(28)32-33/h1-21H/b16-15+ | ||||||||
| InChI Key | UVLVTQUZKGNXQB-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Phenylpropanoids and polyketides | ||||||||
| Class | Stilbenes | ||||||||
| Sub Class | Sulfonated stilbenes | ||||||||
| Direct Parent | Sulfonated stilbenes | ||||||||
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | Not Available | ||||||||
| 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 | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 1729312 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
