기본 정보
- CAS
55203-66-2- 표준 SMILES
CCN1C(=CC=O)C(C)(C)c2cc(S(=O)(=O)c3ccccc3)ccc21- InChIKey
LJIRAJMFCLSDGJ-UHFFFAOYSA-N- 분자식
- C20H21NO3S
- 평균 분자량
- 355.5 g/mol
- 단동위원소 질량
- 355.12421471
이름 및 식별자
- 우선 이름
- Acetaldehyde, 2-[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene]-
- IUPAC
- 2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]acetaldehyde
이름 및 동의어
Acetaldehyde, 2-(1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)-Acetaldehyde, 2-[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene]-RefChem:55150555203-66-2697F7S9JD5Acetaldehyde, (1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)-2-(5-(Benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene)acetaldehyde(1-Ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulphonyl)-2H-indol-2-ylidene)acetaldehyde[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulphonyl)-2H-indol-2-ylidene]acetaldehydeAcetaldehyde, [1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene]-EINECS 259-531-3UNII-697F7S9JD5
이름 더 보기
SCHEMBL11686545LJIRAJMFCLSDGJ-UHFFFAOYSA-N(1-Ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)acetaldehydeDB-322318NS000332611-ETHYL-2-(FORMYLMETHYLENE)-3,3-DIMETHYL-5-(PHENYLSULFONYL)INDOLENINE
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 62.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 626
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetaldehyde, 2-[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene]-: INACTIVE
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