기본 정보
- CAS
63815-86-1- 표준 SMILES
CN1C(=CC=Cc2n(CCCS(=O)(=O)[O-])c3cc(C(F)(F)F)ccc3[n+]2C)N(CCCS(=O)(=O)[O-])c2cc(C(F)(F)F)ccc21.[Na+]- InChIKey
IUNMFJCYRMCJST-UHFFFAOYSA-M- 분자식
- C27H27F6N4NaO6S2
- 평균 분자량
- 704.6 g/mol
- 단동위원소 질량
- 704.1173902
이름 및 식별자
- 우선 이름
- 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)
- IUPAC
- sodium 3-[3-methyl-2-[3-[1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)benzimidazol-2-ylidene]prop-1-enyl]-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]propane-1-sulfonate
이름 및 동의어
EINECS 264-480-563815-86-11H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)RefChem:797041H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium saltSodium 3-(1-methyl-2-(3-(1-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-ylidene)prop-1-en-1-yl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-3-ium-3-yl)propane-1-sulfonateIUNMFJCYRMCJST-UHFFFAOYSA-MNS000355761H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
물성
구조 계산 물성
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,190
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Benzimidazolium, 2-[3-[1,3-dihydro-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1): INACTIVE
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