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기본 정보
- CAS
108626-72-8- 표준 SMILES
CCN1C(=CC2=CC(=C=CCC3=CC(=Cc4sc5ccc(Cl)cc5[n+]4CC)CC(C)(C)C3)CC(C)(C)C2)Sc2ccc(Cl)cc21.[I-]- InChIKey
QRRYPRPFNWUAHE-UHFFFAOYSA-M- 분자식
- C39H43Cl2IN2S2
- 평균 분자량
- 801.731 g/mol
- 단동위원소 질량
- 800.12894474
이름 및 식별자
- 우선 이름
- 5-Chloro-2-{[3-(3-{3-[(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-2-en-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]methyl}-3-ethyl-1,3-benzothiazol-3-ium iodide
- IUPAC
- 5-Chloro-2-{[3-(3-{3-[(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}prop-2-en-1-yl)-5,5-dimethylcyclohex-2-en-1-ylidene]methyl}-3-ethyl-1,3-benzothiazol-3-ium iodide
- 영어명
- 5-Chloro-2-((3-[(E)-3-(3-([5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl)-3-ethyl-1,3-benzothiazol-3-ium iodide
- 분자식
- C39H43Cl2IN2S2
- 분자량
- 801.71
이름 및 동의어
5-CHLORO-2-[[3-[3-[3-[(5-CHLORO-3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE]PROPENYL]-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE]METHYL]-3-ETHYLBENZOTHIAZOLIUM IODIDE5-Chloro-2-((3-[(E)-3-(3-([5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl)-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl)-3-ethyl-1,3-benzothiazol-3-ium iodide
데이터베이스 식별자
- CAS
108626-72-8- PubChem CID
- 53435836
- DTXSID
DTXSID90700789
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