기본 정보
- CAS
68123-38-6- 표준 SMILES
CCN1C(=CC=Cc2oc3c4ccccc4ccc3[n+]2CC)N(CCC[N+](CC)(CC)CC)c2ccc(Cl)cc21.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-]- InChIKey
IAYUBQQFGWAEOS-UHFFFAOYSA-L- 분자식
- C38H53ClN4O9S2
- 평균 분자량
- 809.4 g/mol
- 단동위원소 질량
- 808.2942493
이름 및 식별자
- 우선 이름
- Naphth[2,1-d]oxazolium, 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-[3-(triethylammonio)propyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, ethyl sulfate (1:2)
- IUPAC
- 3-[5-chloro-3-ethyl-2-[3-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propyl-triethylazanium;ethyl sulfate
이름 및 동의어
DTXSID6089096468123-38-6Naphth[2,1-d]oxazolium, 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-[3-(triethylammonio)propyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, ethyl sulfate (1:2)Naphth[2,1-d]oxazolium, 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-[3-(triethylammonio)propyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-, bis(ethyl sulfate)EINECS 268-554-8Naphth(2,1-d)oxazolium, 2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-(triethylammonio)propyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-3-ethyl-, ethyl sulfate (1:2)Naphth(2,1-d)oxazolium, 2-(3-(5-chloro-3-ethyl-1,3-dihydro-1-(3-(triethylammonio)propyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-3-ethyl-, bis(ethyl sulfate)RefChem:164561DTXCID7010369423,3'-Diethyl-5'-chloro-1'-(gamma-triethylaminopropyl)-2,2'-(6,7-benzoxa)benzimidazolocarbocyanine, diethosulfate2-(3-{5-Chloro-3-ethyl-1-[3-(triethylazaniumyl)propyl]-1,3-dihydro-2H-1,3-benzimidazol-2-ylidene}prop-1-en-1-yl)-3-ethylnaphtho[2,1-d][1,3]oxazol-3-ium bis(ethyl sulfate)
데이터베이스 식별자
- CAS
68123-38-6
물성
구조 계산 물성
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 970
화학 및 산업
용도 및 제조
General Manufacturing InformationNaphth[2,1-d]oxazolium, 2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-[3-(triethylammonio)propyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, ethyl sulfate (1:2): INACTIVE
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