3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid (CHEM351230)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 23:48:39 UTC | ||||||||
| Update Date | 2026-08-31 23:48:39 UTC | ||||||||
| Accession Number | CHEM351230 | ||||||||
| Identification | |||||||||
| Common Name | 3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid has the chemical formula C40H36N4O12S2. With an average molecular weight of 828.90 g/mol, 3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C40H36N4O12S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 828.177 g/mol | ||||||||
| CAS Registry Number | 94022-86-3 | ||||||||
| IUPAC Name | 3-[[4-[1-[4-[(1,7-dihydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)N=NC4=C(C=C5C=CC(=CC5=C4O)O)S(=O)(=O)O)OC)N=NC6=C(C=C7C=CC(=CC7=C6O)O)S(=O)(=O)O | ||||||||
| InChI Identifier | InChI=1S/C40H36N4O12S2/c1-55-32-18-24(8-12-30(32)41-43-36-34(57(49,50)51)16-22-6-10-26(45)20-28(22)38(36)47)40(14-4-3-5-15-40)25-9-13-31(33(19-25)56-2)42-44-37-35(58(52,53)54)17-23-7-11-27(46)21-29(23)39(37)48/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54) | ||||||||
| InChI Key | LREXSNYMCUVGLE-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 | ||||||||
