Ethyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoate

HCID 19695074

기본 정보

표준 SMILES
CCOC(=O)c1ccc(/C=C/c2cccc3c2C(Sc2ccccc2)=CCC3(C)C)cc1
InChIKey
AGIAQCIVHMCLJF-DTQAZKPQSA-N
분자식
C29H28O2S
평균 분자량
440.6 g/mol

이름 및 식별자

우선 이름
Ethyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoate
IUPAC
ethyl 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoate

이름 및 동의어

AGIAQCIVHMCLJF-DTQAZKPQSA-NEthyl (E)-4-[2-(5 6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)-naphthalenyl)ethenyl]benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoateethyl (E)4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)-naphthalenyl)ethenyl]benzoate

데이터베이스 식별자

PubChem CID
19695074

물성

구조 계산 물성

XLogP
8.2
극성 표면적
51.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
7
무거운 원자 수
32

관련 반응

18건

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