4-[2-[(e)-2-[(z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonic acid (CHEM346418)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 15:38:52 UTC | ||||||||
| Update Date | 2026-08-31 15:38:52 UTC | ||||||||
| Accession Number | CHEM346418 | ||||||||
| Identification | |||||||||
| Common Name | 4-[2-[(e)-2-[(z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4-[2-[(e)-2-[(z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonic acid is a compound with the chemical formula C30H31N2O4SSe+. With an average molecular weight of 594.60 g/mol, 4-[2-[(e)-2-[(z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H31N2O4SSe+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 595.117 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 4-[2-[(e)-2-[(z)-(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2[Se]1)CCC(C)S(=O)(=O)O)C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)C | ||||||||
| InChI Identifier | InChI=1S/C30H30N2O4SSe/c1-4-22(18-29-31(3)26-20-24(14-15-27(26)36-29)23-10-6-5-7-11-23)19-30-32(17-16-21(2)37(33,34)35)25-12-8-9-13-28(25)38-30/h5-15,18-21H,4,16-17H2,1-3H3/p+1 | ||||||||
| InChI Key | QDAWKUJXWZSGKT-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 |
| ||||||||
| 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 | ||||||||
