Benzoic acid, 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]oxy]-, ethyl ester (CHEM074777)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 13:14:12 UTC | ||||||||
| Update Date | 2026-04-04 13:14:12 UTC | ||||||||
| Accession Number | CHEM074777 | ||||||||
| Identification | |||||||||
| Common Name | Benzoic acid, 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]oxy]-, ethyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C39H22N6O14S3 | ||||||||
| Average Molecular Mass | 894.810 g/mol | ||||||||
| Monoisotopic Mass | 894.036 g/mol | ||||||||
| CAS Registry Number | 73003-81-3 | ||||||||
| IUPAC Name | 5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-ethoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C1=CC(OS(=O)(=O)C2=CC=CC3=C2C=CC(=[N+]=[N-])C3=O)=C(OS(=O)(=O)C2=CC=CC3=C2C=CC(=[N+]=[N-])C3=O)C(OS(=O)(=O)C2=CC=CC3=C2C=CC(=[N+]=[N-])C3=O)=C1 | ||||||||
| InChI Identifier | InChI=1S/C39H22N6O14S3/c1-2-56-39(49)20-18-30(57-60(50,51)32-9-3-6-24-21(32)12-15-27(43-40)35(24)46)38(59-62(54,55)34-11-5-8-26-23(34)14-17-29(45-42)37(26)48)31(19-20)58-61(52,53)33-10-4-7-25-22(33)13-16-28(44-41)36(25)47/h3-19H,2H2,1H3 | ||||||||
| InChI Key | HLAAGTOTKUVPJQ-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
