6-[2-[(1e,3e,5z)-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid (CHEM349666)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 20:51:05 UTC | ||||||||
| Update Date | 2026-08-31 20:51:05 UTC | ||||||||
| Accession Number | CHEM349666 | ||||||||
| Identification | |||||||||
| Common Name | 6-[2-[(1e,3e,5z)-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 6-[2-[(1e,3e,5z)-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid is a chemical compound with the formula C35H45N2O5S+. With an average molecular weight of 605.80 g/mol, 6-[2-[(1e,3e,5z)-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C35H45N2O5S+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 605.305 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 6-[2-[(1e,3e,5z)-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCS(=O)(=O)O)(C)C)CCCCCC(=O)O)C | ||||||||
| InChI Identifier | InChI=1S/C35H44N2O5S/c1-34(2)27-17-10-12-19-29(27)36(24-14-6-9-23-33(38)39)31(34)21-7-5-8-22-32-35(3,4)28-18-11-13-20-30(28)37(32)25-15-16-26-43(40,41)42/h5,7-8,10-13,17-22H,6,9,14-16,23-26H2,1-4H3,(H-,38,39,40,41,42)/p+1 | ||||||||
| InChI Key | DLAZDWJBELMOFD-UHFFFAOYSA-O | ||||||||
| 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 | ||||||||
