Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate (CHEM077147)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 17:37:35 UTC | ||||||||
| Update Date | 2026-04-04 17:37:35 UTC | ||||||||
| Accession Number | CHEM077147 | ||||||||
| Identification | |||||||||
| Common Name | Pentyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C42H28N6O14S3 | ||||||||
| Average Molecular Mass | 936.890 g/mol | ||||||||
| Monoisotopic Mass | 936.083 g/mol | ||||||||
| CAS Registry Number | 94277-86-8 | ||||||||
| IUPAC Name | 5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-pentoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCOC(=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/C42H28N6O14S3/c1-2-3-4-20-59-42(52)23-21-33(60-63(53,54)35-11-5-8-27-24(35)14-17-30(46-43)38(27)49)41(62-65(57,58)37-13-7-10-29-26(37)16-19-32(48-45)40(29)51)34(22-23)61-64(55,56)36-12-6-9-28-25(36)15-18-31(47-44)39(28)50/h5-19,21-22H,2-4,20H2,1H3 | ||||||||
| InChI Key | NSQSUVGLFLIZAQ-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 | ||||||||
