2-[4-[(e)-2-[4-[(e)-2-[4-(6,8-disulfobenzo[e]benzotriazol-2-yl)-2-sulfophenyl]ethenyl]phenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-6,8-disulfonic acid (CHEM351792)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-09-01 00:55:45 UTC | ||||||||
| Update Date | 2026-09-01 00:55:45 UTC | ||||||||
| Accession Number | CHEM351792 | ||||||||
| Identification | |||||||||
| Common Name | 2-[4-[(e)-2-[4-[(e)-2-[4-(6,8-disulfobenzo[e]benzotriazol-2-yl)-2-sulfophenyl]ethenyl]phenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-6,8-disulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C42H28N6O18S6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 1095.978 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[4-[(e)-2-[4-[(e)-2-[4-(6,8-disulfobenzo[e]benzotriazol-2-yl)-2-sulfophenyl]ethenyl]phenyl]ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-6,8-disulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC(=CC=C1C=CC2=C(C=C(C=C2)N3N=C4C=CC5=C(C4=N3)C=C(C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC6=C(C=C(C=C6)N7N=C8C=CC9=C(C8=N7)C=C(C=C9S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C42H28N6O18S6/c49-67(50,51)29-19-33-31(39(21-29)71(61,62)63)13-15-35-41(33)45-47(43-35)27-11-9-25(37(17-27)69(55,56)57)7-5-23-1-2-24(4-3-23)6-8-26-10-12-28(18-38(26)70(58,59)60)48-44-36-16-14-32-34(42(36)46-48)20-30(68(52,53)54)22-40(32)72(64,65)66/h1-22H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/b7-5+,8-6+ | ||||||||
| InChI Key | KCHKRWNYDVLYQD-KQQUZDAGSA-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 | ||||||||
