dihydrogen (ethyl)[4-[alpha-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium (CAS 93917-96-5) — formula C39H40N2O9S3, molecular weight 776.9; category organic chemicals.
| CAS Number | 93917-96-5 |
|---|---|
| Molecular Formula | C39H40N2O9S3 |
| Molecular Weight | 776.9 |
| LogP | 5 |
| Category | Organic Chemicals |
dihydrogen (ethyl)[4-[alpha-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium is a carbon-based organic compound with CAS registry number 93917-96-5 and molecular formula C39H40N2O9S3 (molecular weight 776.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93917-96-5
Its molecular formula C39H40N2O9S3 comprises 39 C, 40 H, 2 N, 9 O, 3 S atoms.
Also known as: dihydrogen (ethyl)[4-[alpha-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium · 二氢(乙基)[4-[α-[4-[乙基(3-磺基苄基)氨基]-邻甲苯基]-4-磺基亚苄基]-3-甲基环六-2,5-二烯-1-亚基](3-磺基苄基)铵
Category: organic chemicals
The CAS registry number of dihydrogen (ethyl)[4-[alpha-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium is 93917-96-5.
Molecular formula C39H40N2O9S3, molecular weight 776.9.
It is also registered under: dihydrogen (ethyl)[4-[alpha-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, 二氢(乙基)[4-[α-[4-[乙基(3-磺基苄基)氨基]-邻甲苯基]-4-磺基亚苄基]-3-甲基环六-2,5-二烯-1-亚基](3-磺基苄基)铵.
Category: Organic Chemicals.
Independent reference data for dihydrogen (ethyl)[4-[alpha-[4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]-4-sulphonatobenzylidene]-3-methylcyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium (CAS 93917-96-5), compiled from public chemistry databases.
| CAS 号 | 93917-96-5 |
|---|---|
| PubChem CID | 74933685 |
| 分子式 | C39H40N2O9S3 |
| IUPAC 名称 | 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]-(4-sulfophenyl)methyl]-3-methylanilino]methyl]benzenesulfonate |
| Molecular Weight | 776.9 |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 776.18959438 |
| Monoisotopic Mass | 776.18959438 |
| Topological Polar Surface Area | 197 |
| Heavy Atom Count | 53 |
二氢(乙基)[4-[α-[4-[乙基(3-磺基苄基)氨基]-邻甲苯基]-4-磺基亚苄基]-3-甲基环六-2,5-二烯-1-亚基](3-磺基苄基)铵 · CAS 93917-96-5 · C39H40N2O9S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 二氢(乙基)[4-[α-[4-[乙基(3-磺基苄基)氨基]-邻甲苯基]-4-磺基亚苄基]-3-甲基环六-2,5-二烯-1-亚基](3-磺基苄基)铵