Benzenesulfonic acid, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-triethyl- (CHEM073512)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 10:12:01 UTC | ||||||||
| Update Date | 2026-04-04 10:12:01 UTC | ||||||||
| Accession Number | CHEM073512 | ||||||||
| Identification | |||||||||
| Common Name | Benzenesulfonic acid, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-triethyl- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C38H42N2O8S2 | ||||||||
| Average Molecular Mass | 718.880 g/mol | ||||||||
| Monoisotopic Mass | 718.238 g/mol | ||||||||
| CAS Registry Number | 65122-39-6 | ||||||||
| IUPAC Name | 3-[[9,10-dioxo-4-(2,4,6-triethyl-3-sulfoanilino)anthracen-1-yl]amino]-2,4,6-triethylbenzenesulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC1=CC(CC)=C(NC2=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C(NC3=C(CC)C=C(CC)C(=C3CC)S(O)(=O)=O)C=C2)C(CC)=C1S(O)(=O)=O | ||||||||
| InChI Identifier | InChI=1S/C38H42N2O8S2/c1-7-21-19-23(9-3)37(49(43,44)45)25(11-5)33(21)39-29-17-18-30(32-31(29)35(41)27-15-13-14-16-28(27)36(32)42)40-34-22(8-2)20-24(10-4)38(26(34)12-6)50(46,47)48/h13-20,39-40H,7-12H2,1-6H3,(H,43,44,45)(H,46,47,48) | ||||||||
| InChI Key | JPIJFOIMQDDHFY-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 |
| ||||||||
| 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 | ||||||||
