Ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-trifluoromethylsulfonyloxy-naphthalen-2-yl)azo]benzoate

HCID 22323756

기본 정보

표준 SMILES
CCOC(=O)c1ccc(N=Nc2ccc3c(c2)C(OS(=O)(=O)C(F)(F)F)=CCC3(C)C)cc1
InChIKey
JFQAHLARFFQQEE-UHFFFAOYSA-N
분자식
C22H21F3N2O5S
평균 분자량
482.5 g/mol

이름 및 식별자

우선 이름
Ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-trifluoromethylsulfonyloxy-naphthalen-2-yl)azo]benzoate
IUPAC
ethyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]diazenyl]benzoate

이름 및 동의어

ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-trifluoromethylsulfonyloxy-naphthalen-2-yl)azo]benzoateSCHEMBL6240887SCHEMBL6240892ethyl 4-[(5,6-dihydro-5,5-dimethyl-8- (trifluoromethylsulfonyl)oxy-2-naphthalenyl)azo]-benzoateethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)azo]-benzoate

데이터베이스 식별자

PubChem CID
22323756

물성

구조 계산 물성

XLogP
6.3
극성 표면적
103 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
7
무거운 원자 수
33

관련 반응

29건

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