기본 정보
- CAS
171568-44-8- 표준 SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(OS(=O)(=O)C(F)(F)F)=CCC3(C)C)cc1- InChIKey
RKJFWYTUBCPBEP-UHFFFAOYSA-N- 분자식
- C24H21F3O5S
- 평균 분자량
- 478.5 g/mol
- 단동위원소 질량
- 478.10617943
이름 및 식별자
- 우선 이름
- 4-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic acid ethyl ester
- IUPAC
- ethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate
- 현지명
- 4-[2-[5,6-디히드로-5,5-디메틸-8-[[(트리플루오로메틸)술포닐]옥시]-2-나프탈레닐]에티닐]벤조산에틸에스테르
- 영어명
- 4-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic Acid Ethyl Ester
- 분자식
- C24H21F3O5S
- 분자량
- 478.48
이름 및 동의어
171568-44-84-[2-[5,6-DIHYDRO-5,5-DIMETHYL-8-[[(TRIFLUOROMETHYL)SULFONYL]OXY]-2-NAPHTHALENYL]ETHYNYL]BENZOIC ACID ETHYL ESTERethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate4-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic AciSCHEMBL6239862DTXSID80475893AKOS030255288DB-316115ethyl 4-[(5-trifluoromethylsulfonyloxy-7,8-dihydro-8,8-dimethylnaphth-3-yl)ethynyl]benzoateEthyl 4-[(5-trifluoromethylsulfonyloxy-7,8-dihydro-8,8-dimethylnapth-3-yl)ethynyl]benzoateEthyl 4-((5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-5,6-dihydronaphthalen-2-yl)ethynyl)benzoateEthyl 4-({5,5-dimethyl-8-[(trifluoromethanesulfonyl)oxy]-5,6-dihydronaphthalen-2-yl}ethynyl)benzoate
이름 더 보기
4-[2-[5,6-디히드로-5,5-디메틸-8-[[(트리플루오로메틸)술포닐]옥시]-2-나프탈레닐]에티닐]벤조산에틸에스테르Ethyl 4-[2-[5,6-Dihydro-5,5-diMethyl-8-[[(trifluoroMethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoateBenzoic acid, 4-[2-[5,6-dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]-, ethyl ester
ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl) oxy-2-naphthalenyl)ethynyl]benzoateethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)ethynyl]benzoate
데이터베이스 식별자
- CAS
171568-44-8- PubChem CID
- 12017638
- DTXSID
DTXSID80475893- Nikkaji
- J1.056.047K
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 78.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 925
물리화학적 성질
- 끓는 점
- 557.9 · 557.9±50.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
- 물리적 상태
- 고체
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도Intermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.
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