5-(Benzoylamino)-3-[[3-[4-(tert-butyl)phenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid (CHEM113230)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 00:27:33 UTC | ||||||||
| Update Date | 2026-04-06 00:27:33 UTC | ||||||||
| Accession Number | CHEM113230 | ||||||||
| Identification | |||||||||
| Common Name | 5-(Benzoylamino)-3-[[3-[4-(tert-butyl)phenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 5-(Benzoylamino)-3-[[3-[4-(tert-butyl)phenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. This benzenoid compound has the chemical formula C33H29N3O9S2. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H29N3O9S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 675.135 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 5-(benzoylamino)-3-{[3-(4-tert-butylphenoxy)phenyl]diazenyl}-4-hydroxynaphthalene-2,7-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1/C33H29N3O9S2/c1-33(2,3)22-12-14-24(15-13-22)45-25-11-7-10-23(18-25)35-36-30-28(47(42,43)44)17-21-16-26(46(39,40)41)19-27(29(21)31(30)37)34-32(38)20-8-5-4-6-9-20/h4-19,37H,1-3H3,(H,34,38)(H,39,40,41)(H,42,43,44) | ||||||||
| InChI Key | RWDAFZOLLQQDPI-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 | ||||||||
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| 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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
